============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 3 0.840 8.706 30.968 7.166 -99.200 -91.000 TYR 10 0.840 24.735 19.692 14.463 -99.200 -91.000 TYR 12 0.840 28.760 26.435 10.238 -99.200 -91.000 HIS 18 0.900 30.746 9.737 10.714 -99.200 -91.000 HIS 27 0.900 23.162 21.070 3.114 -99.200 -91.000 HIS 28 0.900 23.296 27.367 9.365 -99.200 -91.000 HIS 31 0.900 23.332 24.994 -1.606 -99.200 -91.000 HIS 32 0.900 17.644 26.361 6.475 -99.200 -91.000 TYR 35 0.840 16.515 25.822 -0.623 -99.200 -91.000 PHE 48 1.000 -2.097 31.809 2.983 -99.200 -91.000 HIS 78 0.900 13.006 28.042 7.318 -99.200 -91.000 HIS 81 0.900 17.872 22.368 3.196 -99.200 -91.000 PHE 84 1.000 20.418 16.968 6.461 -99.200 -91.000 TRP 85 1.040 20.191 22.875 9.386 -99.200 -91.000 TRP6 85 1.020 21.679 22.055 7.744 -99.200 -91.000 PHE 109 1.000 10.211 0.514 7.949 -99.200 -91.000 PHE 112 1.000 18.793 1.146 13.015 -99.200 -91.000 PHE 115 1.000 14.818 2.968 9.054 -99.200 -91.000 PHE 119 1.000 16.256 7.166 5.401 -99.200 -91.000 PHE 127 1.000 17.749 10.277 -12.883 -99.200 -91.000 TRP 131 1.040 15.080 16.933 0.893 -99.200 -91.000 TRP6 131 1.020 16.249 17.393 2.874 -99.200 -91.000 TRP 133 1.040 11.017 13.091 2.891 -99.200 -91.000 TRP6 133 1.020 11.745 14.929 4.184 -99.200 -91.000 TRP 172 1.040 17.886 18.952 -3.115 -99.200 -91.000 TRP6 172 1.020 17.703 20.881 -4.460 -99.200 -91.000 HIS 174 0.900 22.119 21.330 -1.820 -99.200 -91.000 TYR 176 0.840 25.411 13.125 -2.913 -99.200 -91.000 TYR 177 0.840 29.765 15.689 -7.200 -99.200 -91.000 TYR 180 0.840 30.690 10.866 1.770 -99.200 -91.000 TYR 187 0.840 24.845 12.286 2.080 -99.200 -91.000 PHE 191 1.000 21.290 10.915 7.644 -99.200 -91.000 TRP 192 1.040 22.356 4.278 7.879 -99.200 -91.000 TRP6 192 1.020 20.083 4.798 8.204 -99.200 -91.000 TRP 197 1.040 19.169 6.546 15.523 -99.200 -91.000 TRP6 197 1.020 17.549 6.245 13.853 -99.200 -91.000 TYR 204 0.840 6.535 6.077 16.854 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2aw9A1 ALA 1 HA -0.05 -0.05 0.08 -0.75 4.34 3.56 2aw9A1 ALA 1 HB3 -0.05 -0.03 0.01 -0.04 1.41 1.31 2aw9A1 ALA 2 H -0.18 0.05 0.05 -0.55 8.40 7.77 2aw9A1 ALA 2 HA -0.18 0.07 0.43 -0.75 4.34 3.91 2aw9A1 ALA 2 HB3 -0.86 -0.02 0.19 -0.04 1.41 0.67 2aw9A1 TYR 3 H -0.13 0.00 -0.22 -0.55 8.29 7.39 2aw9A1 TYR 3 HA 0.06 0.12 0.06 -0.75 4.56 4.05 2aw9A1 TYR 3 HB2 -0.15 -0.01 -0.02 -0.04 3.06 2.84 2aw9A1 TYR 3 HB3 -0.23 0.05 -0.04 -0.04 2.98 2.72 2aw9A1 TYR 3 HD2 0.07 0.05 -0.15 -0.04 7.15 7.08 2aw9A1 TYR 3 HE2 0.10 0.04 -0.03 -0.04 6.85 6.92 2aw9A1 THR 4 H 0.18 0.18 0.15 -0.55 8.28 8.24 2aw9A1 THR 4 HA 0.00 0.16 0.55 -0.75 4.39 4.35 2aw9A1 THR 4 HB 0.02 -0.05 0.10 -0.04 4.32 4.35 2aw9A1 THR 4 HG23 0.04 0.04 -0.14 -0.04 1.22 1.12 2aw9A1 LEU 5 H -0.04 0.12 0.07 -0.55 8.37 7.97 2aw9A1 LEU 5 HA -0.15 0.10 0.48 -0.75 4.35 4.02 2aw9A1 LEU 5 HB2 -0.17 -0.05 0.07 -0.04 1.64 1.45 2aw9A1 LEU 5 HB3 -0.11 -0.04 0.09 -0.04 1.64 1.54 2aw9A1 LEU 5 HG -0.20 0.27 -0.15 -0.04 1.64 1.52 2aw9A1 LEU 5 HD13 -0.47 -0.00 -0.09 -0.04 0.93 0.32 2aw9A1 LEU 5 HD23 -0.60 -0.03 -0.11 -0.04 0.89 0.11 2aw9A1 PRO 6 HA 0.11 0.02 0.64 -0.51 4.44 4.70 2aw9A1 PRO 6 HB2 0.20 0.19 -0.01 -0.04 2.28 2.62 2aw9A1 PRO 6 HB3 0.17 -0.01 0.12 -0.04 2.02 2.26 2aw9A1 PRO 6 HG2 0.56 0.00 0.04 -0.04 2.03 2.58 2aw9A1 PRO 6 HG3 0.37 0.01 0.10 -0.04 2.03 2.48 2aw9A1 PRO 6 HD2 0.07 -0.01 0.22 -0.04 3.68 3.93 2aw9A1 PRO 6 HD3 0.34 0.26 0.26 -0.04 3.65 4.47 2aw9A1 GLN 7 H 0.05 0.07 0.14 -0.55 8.47 8.18 2aw9A1 GLN 7 HA 0.02 0.00 0.53 -0.75 4.36 4.16 2aw9A1 GLN 7 HB2 -0.00 -0.01 0.12 -0.04 2.15 2.22 2aw9A1 GLN 7 HB3 -0.03 0.00 0.05 -0.04 2.02 2.00 2aw9A1 GLN 7 HG2 -0.11 0.17 -0.08 -0.04 2.40 2.35 2aw9A1 GLN 7 HG3 -0.10 -0.09 0.08 -0.04 2.39 2.24 2aw9A1 GLN 7 HE21 -0.02 -0.02 0.01 -0.04 6.97 6.90 2aw9A1 GLN 7 HE22 -0.01 0.01 0.03 -0.04 7.69 7.68 2aw9A1 LEU 8 H -0.41 0.02 0.12 -0.55 8.37 7.56 2aw9A1 LEU 8 HA -0.43 0.20 0.49 -0.75 4.35 3.85 2aw9A1 LEU 8 HB2 -0.65 0.06 0.12 -0.04 1.64 1.12 2aw9A1 LEU 8 HB3 -0.97 0.05 0.10 -0.04 1.64 0.77 2aw9A1 LEU 8 HG -1.20 -0.07 0.04 -0.04 1.64 0.38 2aw9A1 LEU 8 HD13 -0.46 -0.02 -0.07 -0.04 0.93 0.34 2aw9A1 LEU 8 HD23 -1.51 0.02 -0.06 -0.04 0.89 -0.70 2aw9A1 PRO 9 HA -0.17 0.10 0.64 -0.51 4.44 4.50 2aw9A1 PRO 9 HB2 0.01 0.05 0.05 -0.04 2.28 2.35 2aw9A1 PRO 9 HB3 -0.02 -0.02 0.17 -0.04 2.02 2.11 2aw9A1 PRO 9 HG2 0.02 0.20 0.01 -0.04 2.03 2.23 2aw9A1 PRO 9 HG3 -0.05 0.01 0.03 -0.04 2.03 1.98 2aw9A1 PRO 9 HD2 -0.93 0.14 0.12 -0.04 3.68 2.97 2aw9A1 PRO 9 HD3 -0.21 0.13 0.13 -0.04 3.65 3.67 2aw9A1 TYR 10 H -0.65 0.25 -0.47 -0.55 8.29 6.86 2aw9A1 TYR 10 HA -0.07 0.08 0.59 -0.75 4.56 4.41 2aw9A1 TYR 10 HB2 -0.05 -0.09 0.03 -0.04 3.06 2.91 2aw9A1 TYR 10 HB3 -0.04 0.11 -0.01 -0.04 2.98 3.00 2aw9A1 TYR 10 HD2 -0.05 0.10 -0.31 -0.04 7.15 6.85 2aw9A1 TYR 10 HE2 0.00 0.20 -0.03 -0.04 6.85 6.99 2aw9A1 ALA 11 H 0.07 0.13 0.13 -0.55 8.40 8.18 2aw9A1 ALA 11 HA -0.19 0.12 0.43 -0.75 4.34 3.95 2aw9A1 ALA 11 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 2aw9A1 TYR 12 H -0.22 0.17 0.18 -0.55 8.29 7.87 2aw9A1 TYR 12 HA 0.02 0.15 0.40 -0.75 4.56 4.37 2aw9A1 TYR 12 HB2 0.01 -0.03 0.11 -0.04 3.06 3.11 2aw9A1 TYR 12 HB3 0.02 0.08 0.12 -0.04 2.98 3.16 2aw9A1 TYR 12 HD2 -0.05 -0.01 -0.01 -0.04 7.15 7.04 2aw9A1 TYR 12 HE2 -0.12 0.04 -0.01 -0.04 6.85 6.72 2aw9A1 ASP 13 H 0.10 0.05 -0.40 -0.55 8.40 7.60 2aw9A1 ASP 13 HA 0.09 0.18 0.86 -0.75 4.63 5.01 2aw9A1 ASP 13 HB2 0.04 0.03 0.17 -0.04 2.71 2.91 2aw9A1 ASP 13 HB3 0.07 -0.05 0.01 -0.04 2.70 2.70 2aw9A1 ALA 14 H 0.08 0.61 -0.29 -0.55 8.40 8.26 2aw9A1 ALA 14 HA 0.01 0.05 0.31 -0.75 4.34 3.96 2aw9A1 ALA 14 HB3 0.00 -0.02 0.06 -0.04 1.41 1.40 2aw9A1 LEU 15 H 0.02 0.08 -0.48 -0.55 8.37 7.45 2aw9A1 LEU 15 HA -0.00 0.24 0.68 -0.75 4.35 4.52 2aw9A1 LEU 15 HB2 0.08 0.06 -0.05 -0.04 1.64 1.68 2aw9A1 LEU 15 HB3 0.05 -0.01 0.08 -0.04 1.64 1.72 2aw9A1 LEU 15 HG -0.13 -0.03 -0.16 -0.04 1.64 1.28 2aw9A1 LEU 15 HD13 -0.06 0.02 -0.09 -0.04 0.93 0.76 2aw9A1 LEU 15 HD23 -0.52 0.02 -0.44 -0.04 0.89 -0.09 2aw9A1 GLU 16 H 0.01 0.24 -0.27 -0.55 8.60 8.03 2aw9A1 GLU 16 HA -0.02 0.04 0.25 -0.75 4.29 3.80 2aw9A1 GLU 16 HB2 -0.02 0.09 0.07 -0.04 2.09 2.19 2aw9A1 GLU 16 HB3 -0.04 -0.01 0.02 -0.04 1.99 1.92 2aw9A1 GLU 16 HG2 0.03 -0.02 0.11 -0.04 2.34 2.42 2aw9A1 GLU 16 HG3 0.02 0.01 0.13 -0.04 2.34 2.45 2aw9A1 PRO 17 HA -0.07 -0.04 0.27 -0.51 4.44 4.09 2aw9A1 PRO 17 HB2 -0.07 0.04 0.01 -0.04 2.28 2.22 2aw9A1 PRO 17 HB3 -0.08 -0.01 0.08 -0.04 2.02 1.96 2aw9A1 PRO 17 HG2 -0.27 0.07 -0.01 -0.04 2.03 1.77 2aw9A1 PRO 17 HG3 -0.12 0.02 0.06 -0.04 2.03 1.94 2aw9A1 PRO 17 HD2 -0.87 0.12 0.26 -0.04 3.68 3.16 2aw9A1 PRO 17 HD3 -0.21 0.09 0.24 -0.04 3.65 3.73 2aw9A1 HIS 18 H -0.56 0.29 -0.14 -0.55 8.41 7.46 2aw9A1 HIS 18 HA 0.19 -0.01 0.22 -0.75 4.63 4.27 2aw9A1 HIS 18 HB2 0.08 0.07 0.09 -0.04 3.26 3.46 2aw9A1 HIS 18 HB3 0.11 0.00 -0.01 -0.04 3.20 3.26 2aw9A1 HIS 18 HD2 0.00 0.06 -0.08 -0.04 6.97 6.91 2aw9A1 HIS 18 HE1 0.06 -0.04 0.04 -0.04 7.75 7.76 2aw9A1 ILE 19 H 0.18 0.54 -0.15 -0.55 8.25 8.26 2aw9A1 ILE 19 HA 0.30 0.15 0.81 -0.75 4.18 4.68 2aw9A1 ILE 19 HB 0.23 -0.05 -0.06 -0.04 1.89 1.97 2aw9A1 ILE 19 HG12 0.49 0.07 -0.05 -0.04 1.49 1.97 2aw9A1 ILE 19 HG13 0.33 -0.05 -0.43 -0.04 1.21 1.03 2aw9A1 ILE 19 HG23 0.33 0.01 -0.07 -0.04 0.93 1.16 2aw9A1 ILE 19 HD13 0.35 -0.00 -0.07 -0.04 0.88 1.12 2aw9A1 ASP 20 H 0.13 0.11 0.06 -0.55 8.40 8.15 2aw9A1 ASP 20 HA 0.05 0.13 0.42 -0.75 4.63 4.48 2aw9A1 ASP 20 HB2 0.03 -0.08 0.06 -0.04 2.71 2.67 2aw9A1 ASP 20 HB3 0.00 0.18 0.05 -0.04 2.70 2.89 2aw9A1 ALA 21 H 0.05 0.17 0.16 -0.55 8.40 8.24 2aw9A1 ALA 21 HA 0.12 0.48 0.37 -0.75 4.34 4.56 2aw9A1 ALA 21 HB3 0.07 -0.01 -0.02 -0.04 1.41 1.41 2aw9A1 ARG 22 H 0.03 0.10 -0.17 -0.55 8.46 7.88 2aw9A1 ARG 22 HA -0.03 0.08 0.31 -0.75 4.34 3.95 2aw9A1 ARG 22 HB2 0.01 0.03 0.08 -0.04 1.90 1.97 2aw9A1 ARG 22 HB3 0.02 -0.02 0.02 -0.04 1.80 1.78 2aw9A1 ARG 22 HG2 0.01 -0.01 -0.15 -0.04 1.67 1.47 2aw9A1 ARG 22 HG3 -0.01 0.02 0.02 -0.04 1.67 1.66 2aw9A1 ARG 22 HD2 0.00 0.02 -0.01 -0.04 3.22 3.19 2aw9A1 ARG 22 HD3 0.01 0.00 -0.05 -0.04 3.22 3.14 2aw9A1 THR 23 H 0.07 0.10 -0.30 -0.55 8.28 7.60 2aw9A1 THR 23 HA 0.10 0.03 0.35 -0.75 4.39 4.12 2aw9A1 THR 23 HB 0.15 0.12 0.11 -0.04 4.32 4.66 2aw9A1 THR 23 HG23 0.20 0.07 -0.15 -0.04 1.22 1.31 2aw9A1 MET 24 H 0.17 0.52 -0.09 -0.55 8.47 8.52 2aw9A1 MET 24 HA 0.34 0.03 0.34 -0.75 4.52 4.47 2aw9A1 MET 24 HB2 0.18 0.10 0.21 -0.04 2.15 2.60 2aw9A1 MET 24 HB3 0.24 -0.05 0.04 -0.04 2.03 2.21 2aw9A1 MET 24 HG2 0.20 0.13 -0.09 -0.04 2.63 2.83 2aw9A1 MET 24 HG3 0.22 0.12 0.03 -0.04 2.56 2.88 2aw9A1 MET 24 HE3 0.31 -0.00 -0.03 -0.04 2.10 2.33 2aw9A1 GLU 25 H -0.11 0.55 -0.29 -0.55 8.60 8.21 2aw9A1 GLU 25 HA -0.91 -0.01 0.32 -0.75 4.29 2.93 2aw9A1 GLU 25 HB2 -0.59 -0.00 0.12 -0.04 2.09 1.58 2aw9A1 GLU 25 HB3 -0.21 0.14 0.20 -0.04 1.99 2.08 2aw9A1 GLU 25 HG2 -0.21 0.00 -0.13 -0.04 2.34 1.96 2aw9A1 GLU 25 HG3 -0.55 -0.04 0.05 -0.04 2.34 1.76 2aw9A1 ILE 26 H -0.00 0.57 0.04 -0.55 8.25 8.31 2aw9A1 ILE 26 HA -0.03 0.03 0.42 -0.75 4.18 3.85 2aw9A1 ILE 26 HB 0.09 0.08 0.17 -0.04 1.89 2.20 2aw9A1 ILE 26 HG12 -0.03 -0.02 0.02 -0.04 1.49 1.43 2aw9A1 ILE 26 HG13 -0.03 0.01 0.07 -0.04 1.21 1.22 2aw9A1 ILE 26 HG23 0.05 -0.02 -0.11 -0.04 0.93 0.81 2aw9A1 ILE 26 HD13 0.02 -0.01 -0.05 -0.04 0.88 0.79 2aw9A1 HIS 27 H 0.29 0.71 -0.09 -0.55 8.41 8.77 2aw9A1 HIS 27 HA 0.33 -0.09 0.37 -0.75 4.63 4.49 2aw9A1 HIS 27 HB2 0.32 0.18 0.07 -0.04 3.26 3.80 2aw9A1 HIS 27 HB3 0.48 0.11 0.12 -0.04 3.20 3.86 2aw9A1 HIS 27 HD2 0.24 -0.11 0.08 -0.04 6.97 7.13 2aw9A1 HIS 27 HE1 0.04 0.03 -0.02 -0.04 7.75 7.76 2aw9A1 HIS 28 H 0.24 0.68 -0.14 -0.55 8.41 8.64 2aw9A1 HIS 28 HA 0.32 0.03 0.51 -0.75 4.63 4.74 2aw9A1 HIS 28 HB2 -0.48 0.02 0.09 -0.04 3.26 2.85 2aw9A1 HIS 28 HB3 -0.03 0.01 0.18 -0.04 3.20 3.32 2aw9A1 HIS 28 HD2 -0.14 -0.03 -0.02 -0.04 6.97 6.73 2aw9A1 HIS 28 HE1 -0.07 -0.07 -0.01 -0.04 7.75 7.55 2aw9A1 THR 29 H 0.02 0.73 0.15 -0.55 8.28 8.63 2aw9A1 THR 29 HA -0.21 0.08 0.29 -0.75 4.39 3.79 2aw9A1 THR 29 HB -0.07 -0.03 0.12 -0.04 4.32 4.30 2aw9A1 THR 29 HG23 0.02 0.02 0.10 -0.04 1.22 1.31 2aw9A1 LYS 30 H -0.03 0.53 -0.10 -0.55 8.42 8.26 2aw9A1 LYS 30 HA -0.14 0.19 0.95 -0.75 4.32 4.57 2aw9A1 LYS 30 HB2 -0.30 0.02 0.14 -0.04 1.87 1.68 2aw9A1 LYS 30 HB3 -0.27 -0.04 0.02 -0.04 1.79 1.45 2aw9A1 LYS 30 HG2 -0.09 -0.00 0.06 -0.04 1.46 1.39 2aw9A1 LYS 30 HG3 -0.13 -0.05 0.02 -0.04 1.46 1.26 2aw9A1 LYS 30 HD2 -0.11 -0.02 -0.01 -0.04 1.69 1.51 2aw9A1 LYS 30 HD3 -0.10 0.18 -0.26 -0.04 1.68 1.46 2aw9A1 LYS 30 HE2 -0.07 -0.01 -0.13 -0.04 2.99 2.74 2aw9A1 LYS 30 HE3 -0.07 -0.04 -0.05 -0.04 2.99 2.79 2aw9A1 HIS 31 H -0.04 0.42 0.11 -0.55 8.41 8.36 2aw9A1 HIS 31 HA -0.36 0.00 0.36 -0.75 4.63 3.88 2aw9A1 HIS 31 HB2 0.04 0.25 0.30 -0.04 3.26 3.81 2aw9A1 HIS 31 HB3 -0.32 -0.02 0.05 -0.04 3.20 2.86 2aw9A1 HIS 31 HD2 -0.11 0.01 -0.23 -0.04 6.97 6.60 2aw9A1 HIS 31 HE1 -0.14 -0.01 -0.02 -0.04 7.75 7.53 2aw9A1 HIS 32 H 0.23 0.59 0.10 -0.55 8.41 8.79 2aw9A1 HIS 32 HA 0.13 -0.00 0.36 -0.75 4.63 4.37 2aw9A1 HIS 32 HB2 0.36 0.03 0.16 -0.04 3.26 3.77 2aw9A1 HIS 32 HB3 0.22 0.25 0.19 -0.04 3.20 3.81 2aw9A1 HIS 32 HD2 0.31 -0.14 -0.00 -0.04 6.97 7.10 2aw9A1 HIS 32 HE1 0.49 0.04 -0.06 -0.04 7.75 8.18 2aw9A1 GLN 33 H -0.01 0.29 -0.37 -0.55 8.47 7.84 2aw9A1 GLN 33 HA -0.12 -0.01 0.29 -0.75 4.36 3.77 2aw9A1 GLN 33 HB2 -0.13 0.09 0.01 -0.04 2.15 2.08 2aw9A1 GLN 33 HB3 -0.11 0.09 -0.08 -0.04 2.02 1.88 2aw9A1 GLN 33 HG2 -0.09 0.07 0.05 -0.04 2.40 2.39 2aw9A1 GLN 33 HG3 -0.08 -0.08 -0.13 -0.04 2.39 2.06 2aw9A1 GLN 33 HE21 -0.07 0.01 0.04 -0.04 6.97 6.91 2aw9A1 GLN 33 HE22 -0.06 -0.08 0.08 -0.04 7.69 7.58 2aw9A1 THR 34 H -0.16 0.51 -0.49 -0.55 8.28 7.60 2aw9A1 THR 34 HA -0.09 -0.00 0.44 -0.75 4.39 3.99 2aw9A1 THR 34 HB -0.39 0.15 0.16 -0.04 4.32 4.20 2aw9A1 THR 34 HG23 -0.13 -0.03 -0.06 -0.04 1.22 0.96 2aw9A1 TYR 35 H -0.21 0.43 -0.00 -0.55 8.29 7.95 2aw9A1 TYR 35 HA 0.05 -0.06 0.49 -0.75 4.56 4.29 2aw9A1 TYR 35 HB2 0.19 0.16 0.12 -0.04 3.06 3.48 2aw9A1 TYR 35 HB3 0.12 0.05 0.14 -0.04 2.98 3.25 2aw9A1 TYR 35 HD2 -0.06 -0.04 -0.05 -0.04 7.15 6.96 2aw9A1 TYR 35 HE2 -0.13 -0.06 -0.06 -0.04 6.85 6.56 2aw9A1 VAL 36 H 0.08 0.44 -0.45 -0.55 8.24 7.76 2aw9A1 VAL 36 HA -0.09 0.00 0.21 -0.75 4.13 3.51 2aw9A1 VAL 36 HB -0.09 0.13 0.10 -0.04 2.12 2.22 2aw9A1 VAL 36 HG13 -0.08 -0.05 -0.36 -0.04 0.97 0.44 2aw9A1 VAL 36 HG23 -0.42 0.00 -0.22 -0.04 0.95 0.27 2aw9A1 ASP 37 H -0.02 0.76 0.13 -0.55 8.40 8.73 2aw9A1 ASP 37 HA -0.00 0.02 0.41 -0.75 4.63 4.30 2aw9A1 ASP 37 HB2 -0.02 0.04 0.16 -0.04 2.71 2.85 2aw9A1 ASP 37 HB3 -0.01 -0.07 0.05 -0.04 2.70 2.62 2aw9A1 ASN 38 H 0.05 0.75 -0.26 -0.55 8.53 8.52 2aw9A1 ASN 38 HA 0.03 -0.01 0.25 -0.75 4.76 4.29 2aw9A1 ASN 38 HB2 0.10 0.11 0.11 -0.04 2.88 3.15 2aw9A1 ASN 38 HB3 0.07 -0.07 0.03 -0.04 2.79 2.78 2aw9A1 ASN 38 HD21 -0.00 -0.04 -0.03 -0.04 7.03 6.92 2aw9A1 ASN 38 HD22 0.05 -0.03 -0.06 -0.04 7.74 7.66 2aw9A1 ALA 39 H 0.11 0.55 -0.18 -0.55 8.40 8.33 2aw9A1 ALA 39 HA 0.11 -0.04 0.44 -0.75 4.34 4.09 2aw9A1 ALA 39 HB3 0.24 0.03 -0.01 -0.04 1.41 1.62 2aw9A1 ASN 40 H 0.07 0.63 -0.11 -0.55 8.53 8.58 2aw9A1 ASN 40 HA -0.05 -0.06 0.46 -0.75 4.76 4.36 2aw9A1 ASN 40 HB2 0.00 0.17 0.18 -0.04 2.88 3.19 2aw9A1 ASN 40 HB3 -0.02 -0.02 0.01 -0.04 2.79 2.72 2aw9A1 ASN 40 HD21 0.01 0.50 0.01 -0.04 7.03 7.50 2aw9A1 ASN 40 HD22 -0.01 -0.07 -0.07 -0.04 7.74 7.56 2aw9A1 LYS 41 H 0.02 0.53 -0.10 -0.55 8.42 8.32 2aw9A1 LYS 41 HA 0.00 0.01 0.39 -0.75 4.32 3.97 2aw9A1 LYS 41 HB2 0.02 0.13 0.15 -0.04 1.87 2.13 2aw9A1 LYS 41 HB3 0.01 -0.06 -0.03 -0.04 1.79 1.68 2aw9A1 LYS 41 HG2 0.01 -0.05 0.04 -0.04 1.46 1.41 2aw9A1 LYS 41 HG3 0.00 0.01 0.04 -0.04 1.46 1.47 2aw9A1 LYS 41 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 2aw9A1 LYS 41 HD3 0.01 -0.06 -0.01 -0.04 1.68 1.58 2aw9A1 LYS 41 HE2 -0.00 -0.04 -0.02 -0.04 2.99 2.89 2aw9A1 LYS 41 HE3 -0.00 0.08 -0.03 -0.04 2.99 3.00 2aw9A1 ALA 42 H 0.04 0.43 -0.25 -0.55 8.40 8.07 2aw9A1 ALA 42 HA 0.02 -0.00 0.50 -0.75 4.34 4.10 2aw9A1 ALA 42 HB3 0.04 0.01 0.08 -0.04 1.41 1.49 2aw9A1 LEU 43 H 0.02 0.68 0.01 -0.55 8.37 8.54 2aw9A1 LEU 43 HA 0.04 -0.08 0.31 -0.75 4.35 3.87 2aw9A1 LEU 43 HB2 -0.05 0.14 0.11 -0.04 1.64 1.81 2aw9A1 LEU 43 HB3 -0.03 -0.11 0.04 -0.04 1.64 1.50 2aw9A1 LEU 43 HG 0.05 0.11 0.02 -0.04 1.64 1.78 2aw9A1 LEU 43 HD13 -0.20 -0.01 -0.05 -0.04 0.93 0.63 2aw9A1 LEU 43 HD23 0.08 -0.04 -0.18 -0.04 0.89 0.70 2aw9A1 GLU 44 H 0.01 0.32 -0.83 -0.55 8.60 7.55 2aw9A1 GLU 44 HA -0.00 -0.00 0.33 -0.75 4.29 3.87 2aw9A1 GLU 44 HB2 0.01 0.27 0.17 -0.04 2.09 2.49 2aw9A1 GLU 44 HB3 0.01 -0.06 0.10 -0.04 1.99 1.99 2aw9A1 GLU 44 HG2 0.00 -0.05 0.01 -0.04 2.34 2.27 2aw9A1 GLU 44 HG3 0.00 -0.05 -0.05 -0.04 2.34 2.21 2aw9A1 GLY 45 H 0.02 0.25 -0.08 -0.55 8.43 8.08 2aw9A1 GLY 45 HA2 0.02 0.07 0.35 -0.51 4.01 3.94 2aw9A1 GLY 45 HA3 0.03 -0.05 0.36 -0.51 4.01 3.84 2aw9A1 THR 46 H 0.04 0.47 -0.32 -0.55 8.28 7.92 2aw9A1 THR 46 HA 0.10 0.15 -0.06 -0.75 4.39 3.82 2aw9A1 THR 46 HB 0.36 -0.07 0.03 -0.04 4.32 4.59 2aw9A1 THR 46 HG23 0.07 0.01 -0.09 -0.04 1.22 1.16 2aw9A1 GLU 47 H 0.14 0.17 0.11 -0.55 8.60 8.47 2aw9A1 GLU 47 HA -0.08 0.15 0.46 -0.75 4.29 4.07 2aw9A1 GLU 47 HB2 -0.16 -0.01 0.14 -0.04 2.09 2.03 2aw9A1 GLU 47 HB3 -0.70 0.03 -0.01 -0.04 1.99 1.27 2aw9A1 GLU 47 HG2 -0.19 0.01 0.05 -0.04 2.34 2.18 2aw9A1 GLU 47 HG3 -0.18 0.00 0.14 -0.04 2.34 2.26 2aw9A1 PHE 48 H 0.24 0.10 -0.61 -0.55 8.34 7.51 2aw9A1 PHE 48 HA 0.01 0.23 0.68 -0.75 4.62 4.78 2aw9A1 PHE 48 HB2 0.01 0.02 -0.03 -0.04 3.15 3.11 2aw9A1 PHE 48 HB3 0.03 0.02 0.08 -0.04 3.06 3.14 2aw9A1 PHE 48 HD2 0.01 -0.06 -0.06 -0.04 7.28 7.14 2aw9A1 PHE 48 HE2 0.01 0.01 -0.07 -0.04 7.38 7.29 2aw9A1 PHE 48 HZ 0.01 0.20 -0.23 -0.04 7.32 7.25 2aw9A1 ALA 49 H 0.04 0.28 -0.14 -0.55 8.40 8.03 2aw9A1 ALA 49 HA -0.05 0.06 0.23 -0.75 4.34 3.83 2aw9A1 ALA 49 HB3 -0.04 0.05 0.08 -0.04 1.41 1.47 2aw9A1 ASP 50 H -0.01 0.08 -0.32 -0.55 8.40 7.61 2aw9A1 ASP 50 HA -0.02 0.22 0.63 -0.75 4.63 4.70 2aw9A1 ASP 50 HB2 -0.01 -0.00 -0.06 -0.04 2.71 2.60 2aw9A1 ASP 50 HB3 0.00 0.00 0.10 -0.04 2.70 2.77 2aw9A1 LEU 51 H 0.06 0.28 -0.31 -0.55 8.37 7.86 2aw9A1 LEU 51 HA 0.07 0.12 0.70 -0.75 4.35 4.48 2aw9A1 LEU 51 HB2 0.16 0.13 0.07 -0.04 1.64 1.96 2aw9A1 LEU 51 HB3 0.13 0.01 -0.06 -0.04 1.64 1.68 2aw9A1 LEU 51 HG 0.06 -0.04 -0.05 -0.04 1.64 1.57 2aw9A1 LEU 51 HD13 0.23 -0.01 -0.08 -0.04 0.93 1.04 2aw9A1 LEU 51 HD23 0.05 -0.00 -0.03 -0.04 0.89 0.87 2aw9A1 PRO 52 HA 0.16 0.10 0.55 -0.51 4.44 4.75 2aw9A1 PRO 52 HB2 0.05 -0.22 -0.04 -0.04 2.28 2.02 2aw9A1 PRO 52 HB3 0.05 0.11 0.10 -0.04 2.02 2.24 2aw9A1 PRO 52 HG2 0.05 -0.03 0.11 -0.04 2.03 2.12 2aw9A1 PRO 52 HG3 0.04 0.10 0.09 -0.04 2.03 2.22 2aw9A1 PRO 52 HD2 0.06 0.12 0.31 -0.04 3.68 4.13 2aw9A1 PRO 52 HD3 0.07 0.21 0.13 -0.04 3.65 4.02 2aw9A1 VAL 53 H 0.04 0.21 0.12 -0.55 8.24 8.06 2aw9A1 VAL 53 HA 0.10 0.12 0.22 -0.75 4.13 3.81 2aw9A1 VAL 53 HB -0.57 0.07 0.09 -0.04 2.12 1.66 2aw9A1 VAL 53 HG13 -0.26 0.01 -0.07 -0.04 0.97 0.60 2aw9A1 VAL 53 HG23 -0.20 -0.00 0.01 -0.04 0.95 0.71 2aw9A1 GLU 54 H -0.03 0.09 -0.27 -0.55 8.60 7.84 2aw9A1 GLU 54 HA -0.08 0.11 0.32 -0.75 4.29 3.88 2aw9A1 GLU 54 HB2 -0.07 0.06 0.02 -0.04 2.09 2.06 2aw9A1 GLU 54 HB3 -0.09 0.03 0.01 -0.04 1.99 1.90 2aw9A1 GLU 54 HG2 -0.02 -0.00 -0.11 -0.04 2.34 2.16 2aw9A1 GLU 54 HG3 -0.04 0.08 -0.05 -0.04 2.34 2.29 2aw9A1 GLN 55 H 0.02 0.15 -0.37 -0.55 8.47 7.73 2aw9A1 GLN 55 HA 0.01 0.15 0.67 -0.75 4.36 4.44 2aw9A1 GLN 55 HB2 0.06 0.11 0.05 -0.04 2.15 2.33 2aw9A1 GLN 55 HB3 0.05 0.00 -0.07 -0.04 2.02 1.96 2aw9A1 GLN 55 HG2 0.03 -0.04 0.00 -0.04 2.40 2.35 2aw9A1 GLN 55 HG3 0.03 0.02 0.00 -0.04 2.39 2.40 2aw9A1 GLN 55 HE21 -0.01 0.06 -0.14 -0.04 6.97 6.84 2aw9A1 GLN 55 HE22 0.00 -0.07 -0.14 -0.04 7.69 7.45 2aw9A1 LEU 56 H 0.08 0.53 -0.14 -0.55 8.37 8.29 2aw9A1 LEU 56 HA 0.12 0.03 0.24 -0.75 4.35 3.98 2aw9A1 LEU 56 HB2 0.19 0.08 -0.01 -0.04 1.64 1.86 2aw9A1 LEU 56 HB3 0.13 0.12 0.08 -0.04 1.64 1.92 2aw9A1 LEU 56 HG 0.05 -0.03 -0.44 -0.04 1.64 1.17 2aw9A1 LEU 56 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.87 2aw9A1 LEU 56 HD23 0.19 0.01 -0.07 -0.04 0.89 0.97 2aw9A1 ILE 57 H -0.01 0.45 -0.31 -0.55 8.25 7.83 2aw9A1 ILE 57 HA -0.03 0.01 0.29 -0.75 4.18 3.70 2aw9A1 ILE 57 HB -0.08 -0.05 0.02 -0.04 1.89 1.74 2aw9A1 ILE 57 HG12 -0.07 0.11 -0.02 -0.04 1.49 1.47 2aw9A1 ILE 57 HG13 -0.09 0.08 -0.29 -0.04 1.21 0.86 2aw9A1 ILE 57 HG23 -0.05 0.03 -0.19 -0.04 0.93 0.68 2aw9A1 ILE 57 HD13 -0.16 -0.02 -0.10 -0.04 0.88 0.55 2aw9A1 GLN 58 H -0.01 0.43 -0.68 -0.55 8.47 7.66 2aw9A1 GLN 58 HA -0.03 0.22 0.89 -0.75 4.36 4.67 2aw9A1 GLN 58 HB2 -0.00 0.02 0.08 -0.04 2.15 2.21 2aw9A1 GLN 58 HB3 -0.02 -0.05 0.21 -0.04 2.02 2.12 2aw9A1 GLN 58 HG2 -0.06 0.07 -0.06 -0.04 2.40 2.31 2aw9A1 GLN 58 HG3 -0.03 0.19 0.08 -0.04 2.39 2.58 2aw9A1 GLN 58 HE21 -0.02 -0.09 -0.01 -0.04 6.97 6.81 2aw9A1 GLN 58 HE22 -0.02 0.21 0.06 -0.04 7.69 7.90 2aw9A1 GLN 59 H -0.00 0.51 -0.33 -0.55 8.47 8.10 2aw9A1 GLN 59 HA 0.02 0.18 0.96 -0.75 4.36 4.76 2aw9A1 GLN 59 HB2 0.09 0.12 0.07 -0.04 2.15 2.40 2aw9A1 GLN 59 HB3 0.14 -0.12 0.16 -0.04 2.02 2.17 2aw9A1 GLN 59 HG2 0.06 0.06 -0.16 -0.04 2.40 2.31 2aw9A1 GLN 59 HG3 0.06 0.18 -0.33 -0.04 2.39 2.26 2aw9A1 GLN 59 HE21 0.07 -0.04 -0.09 -0.04 6.97 6.88 2aw9A1 GLN 59 HE22 0.06 0.04 -0.12 -0.04 7.69 7.64 2aw9A1 LEU 60 H -0.03 0.29 -0.14 -0.55 8.37 7.94 2aw9A1 LEU 60 HA -0.11 0.07 0.35 -0.75 4.35 3.91 2aw9A1 LEU 60 HB2 -0.03 0.05 0.06 -0.04 1.64 1.67 2aw9A1 LEU 60 HB3 -0.05 -0.02 0.08 -0.04 1.64 1.62 2aw9A1 LEU 60 HG -0.04 0.02 0.03 -0.04 1.64 1.61 2aw9A1 LEU 60 HD13 -0.03 0.00 0.06 -0.04 0.93 0.92 2aw9A1 LEU 60 HD23 -0.05 -0.00 -0.13 -0.04 0.89 0.66 2aw9A1 ASP 61 H -0.02 0.08 -0.37 -0.55 8.40 7.55 2aw9A1 ASP 61 HA -0.02 0.09 0.46 -0.75 4.63 4.42 2aw9A1 ASP 61 HB2 0.00 0.03 -0.01 -0.04 2.71 2.69 2aw9A1 ASP 61 HB3 0.00 0.01 0.04 -0.04 2.70 2.71 2aw9A1 ARG 62 H -0.00 0.23 -0.36 -0.55 8.46 7.78 2aw9A1 ARG 62 HA 0.06 0.10 0.62 -0.75 4.34 4.37 2aw9A1 ARG 62 HB2 0.19 0.13 0.08 -0.04 1.90 2.26 2aw9A1 ARG 62 HB3 0.24 -0.05 0.06 -0.04 1.80 2.01 2aw9A1 ARG 62 HG2 0.08 -0.01 -0.02 -0.04 1.67 1.68 2aw9A1 ARG 62 HG3 0.05 -0.11 -0.10 -0.04 1.67 1.47 2aw9A1 ARG 62 HD2 0.06 0.03 0.05 -0.04 3.22 3.32 2aw9A1 ARG 62 HD3 0.14 0.02 0.02 -0.04 3.22 3.36 2aw9A1 VAL 63 H -0.17 0.19 -0.31 -0.55 8.24 7.41 2aw9A1 VAL 63 HA -0.52 0.04 0.24 -0.75 4.13 3.14 2aw9A1 VAL 63 HB -0.44 -0.04 0.03 -0.04 2.12 1.63 2aw9A1 VAL 63 HG13 -1.03 0.04 -0.06 -0.04 0.97 -0.12 2aw9A1 VAL 63 HG23 -0.16 0.08 -0.09 -0.04 0.95 0.74 2aw9A1 PRO 64 HA 0.01 0.07 0.53 -0.51 4.44 4.54 2aw9A1 PRO 64 HB2 -0.01 -0.09 0.00 -0.04 2.28 2.14 2aw9A1 PRO 64 HB3 0.02 0.04 0.09 -0.04 2.02 2.12 2aw9A1 PRO 64 HG2 0.04 0.05 0.04 -0.04 2.03 2.12 2aw9A1 PRO 64 HG3 0.08 0.08 0.08 -0.04 2.03 2.23 2aw9A1 PRO 64 HD2 -0.16 0.07 0.15 -0.04 3.68 3.70 2aw9A1 PRO 64 HD3 0.12 0.16 0.15 -0.04 3.65 4.03 2aw9A1 ALA 65 H 0.00 0.15 0.21 -0.55 8.40 8.21 2aw9A1 ALA 65 HA -0.02 0.19 0.35 -0.75 4.34 4.11 2aw9A1 ALA 65 HB3 0.00 0.02 0.13 -0.04 1.41 1.52 2aw9A1 ASP 66 H 0.00 0.11 -0.08 -0.55 8.40 7.88 2aw9A1 ASP 66 HA 0.00 0.11 0.51 -0.75 4.63 4.51 2aw9A1 ASP 66 HB2 0.01 0.04 0.14 -0.04 2.71 2.85 2aw9A1 ASP 66 HB3 0.01 0.00 0.10 -0.04 2.70 2.76 2aw9A1 LYS 67 H -0.02 0.41 -0.55 -0.55 8.42 7.70 2aw9A1 LYS 67 HA 0.00 0.16 0.86 -0.75 4.32 4.59 2aw9A1 LYS 67 HB2 -0.05 0.17 -0.03 -0.04 1.87 1.92 2aw9A1 LYS 67 HB3 -0.02 -0.04 0.00 -0.04 1.79 1.69 2aw9A1 LYS 67 HG2 0.00 -0.13 -0.22 -0.04 1.46 1.08 2aw9A1 LYS 67 HG3 -0.00 0.01 -0.03 -0.04 1.46 1.41 2aw9A1 LYS 67 HD2 0.01 0.02 0.09 -0.04 1.69 1.77 2aw9A1 LYS 67 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 2aw9A1 LYS 67 HE2 0.01 0.03 0.08 -0.04 2.99 3.07 2aw9A1 LYS 67 HE3 0.01 -0.07 -0.01 -0.04 2.99 2.89 2aw9A1 LYS 68 H -0.02 0.37 -0.11 -0.55 8.42 8.11 2aw9A1 LYS 68 HA -0.05 0.04 0.22 -0.75 4.32 3.78 2aw9A1 LYS 68 HB2 -0.03 0.13 0.14 -0.04 1.87 2.07 2aw9A1 LYS 68 HB3 -0.01 0.00 0.17 -0.04 1.79 1.91 2aw9A1 LYS 68 HG2 -0.02 -0.11 -0.13 -0.04 1.46 1.16 2aw9A1 LYS 68 HG3 -0.04 0.14 0.04 -0.04 1.46 1.56 2aw9A1 LYS 68 HD2 -0.02 0.04 0.00 -0.04 1.69 1.68 2aw9A1 LYS 68 HD3 -0.01 -0.05 -0.04 -0.04 1.68 1.55 2aw9A1 LYS 68 HE2 -0.02 -0.08 -0.11 -0.04 2.99 2.74 2aw9A1 LYS 68 HE3 -0.02 0.07 -0.21 -0.04 2.99 2.79 2aw9A1 GLY 69 H 0.01 0.17 -0.22 -0.55 8.43 7.84 2aw9A1 GLY 69 HA2 0.02 0.07 0.31 -0.51 4.01 3.90 2aw9A1 GLY 69 HA3 0.03 0.07 0.27 -0.51 4.01 3.86 2aw9A1 ALA 70 H 0.02 0.15 -0.16 -0.55 8.40 7.86 2aw9A1 ALA 70 HA 0.06 0.00 0.36 -0.75 4.34 4.01 2aw9A1 ALA 70 HB3 0.03 0.06 0.09 -0.04 1.41 1.55 2aw9A1 LEU 71 H 0.01 0.49 -0.38 -0.55 8.37 7.95 2aw9A1 LEU 71 HA 0.05 -0.00 0.58 -0.75 4.35 4.22 2aw9A1 LEU 71 HB2 -0.03 0.14 0.05 -0.04 1.64 1.76 2aw9A1 LEU 71 HB3 0.00 -0.03 -0.07 -0.04 1.64 1.50 2aw9A1 LEU 71 HG 0.00 0.02 -0.07 -0.04 1.64 1.56 2aw9A1 LEU 71 HD13 -0.10 0.00 -0.17 -0.04 0.93 0.62 2aw9A1 LEU 71 HD23 0.05 -0.01 -0.06 -0.04 0.89 0.83 2aw9A1 ARG 72 H 0.00 0.69 0.10 -0.55 8.46 8.71 2aw9A1 ARG 72 HA -0.01 0.01 0.47 -0.75 4.34 4.05 2aw9A1 ARG 72 HB2 -0.00 0.05 0.15 -0.04 1.90 2.06 2aw9A1 ARG 72 HB3 0.02 0.09 0.22 -0.04 1.80 2.10 2aw9A1 ARG 72 HG2 0.03 -0.04 -0.26 -0.04 1.67 1.35 2aw9A1 ARG 72 HG3 0.00 -0.01 -0.00 -0.04 1.67 1.61 2aw9A1 ARG 72 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 2aw9A1 ARG 72 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 2aw9A1 ASN 73 H 0.05 0.66 -0.14 -0.55 8.53 8.55 2aw9A1 ASN 73 HA 0.07 -0.02 0.43 -0.75 4.76 4.48 2aw9A1 ASN 73 HB2 0.10 0.09 0.10 -0.04 2.88 3.13 2aw9A1 ASN 73 HB3 0.16 -0.05 -0.02 -0.04 2.79 2.84 2aw9A1 ASN 73 HD21 0.10 -0.03 -0.05 -0.04 7.03 7.00 2aw9A1 ASN 73 HD22 0.11 -0.00 -0.07 -0.04 7.74 7.73 2aw9A1 ASN 74 H 0.07 0.47 -0.08 -0.55 8.53 8.45 2aw9A1 ASN 74 HA 0.14 0.03 0.51 -0.75 4.76 4.70 2aw9A1 ASN 74 HB2 0.12 0.15 0.16 -0.04 2.88 3.27 2aw9A1 ASN 74 HB3 0.17 0.15 0.14 -0.04 2.79 3.21 2aw9A1 ASN 74 HD21 0.12 -0.09 0.01 -0.04 7.03 7.03 2aw9A1 ASN 74 HD22 0.10 0.44 0.15 -0.04 7.74 8.39 2aw9A1 ALA 75 H 0.07 0.43 0.21 -0.55 8.40 8.57 2aw9A1 ALA 75 HA 0.09 0.04 0.63 -0.75 4.34 4.34 2aw9A1 ALA 75 HB3 0.08 0.04 0.06 -0.04 1.41 1.55 2aw9A1 GLY 76 H -0.02 0.40 -0.27 -0.55 8.43 7.99 2aw9A1 GLY 76 HA2 -0.13 -0.07 0.48 -0.51 4.01 3.78 2aw9A1 GLY 76 HA3 -0.09 0.40 0.31 -0.51 4.01 4.12 2aw9A1 GLY 77 H -0.17 0.38 -0.27 -0.55 8.43 7.83 2aw9A1 GLY 77 HA2 -0.45 -0.02 0.35 -0.51 4.01 3.37 2aw9A1 GLY 77 HA3 -0.84 0.04 0.39 -0.51 4.01 3.09 2aw9A1 HIS 78 H 0.09 0.48 -0.31 -0.55 8.41 8.12 2aw9A1 HIS 78 HA 0.19 -0.01 0.24 -0.75 4.63 4.29 2aw9A1 HIS 78 HB2 0.10 0.08 -0.02 -0.04 3.26 3.38 2aw9A1 HIS 78 HB3 -0.11 0.10 0.11 -0.04 3.20 3.26 2aw9A1 HIS 78 HD2 -0.96 -0.03 -0.05 -0.04 6.97 5.88 2aw9A1 HIS 78 HE1 0.10 0.15 0.07 -0.04 7.75 8.03 2aw9A1 ALA 79 H -0.12 0.60 -0.18 -0.55 8.40 8.16 2aw9A1 ALA 79 HA -0.30 -0.01 0.52 -0.75 4.34 3.80 2aw9A1 ALA 79 HB3 -0.20 0.01 0.00 -0.04 1.41 1.19 2aw9A1 ASN 80 H -0.31 0.74 -0.12 -0.55 8.53 8.30 2aw9A1 ASN 80 HA -0.42 -0.01 0.33 -0.75 4.76 3.91 2aw9A1 ASN 80 HB2 -0.66 0.12 0.14 -0.04 2.88 2.44 2aw9A1 ASN 80 HB3 -2.06 -0.10 -0.05 -0.04 2.79 0.54 2aw9A1 ASN 80 HD21 -0.27 0.19 -0.48 -0.04 7.03 6.43 2aw9A1 ASN 80 HD22 -0.58 -0.13 -0.13 -0.04 7.74 6.86 2aw9A1 HIS 81 H -0.31 0.63 -0.08 -0.55 8.41 8.10 2aw9A1 HIS 81 HA -0.49 -0.02 0.32 -0.75 4.63 3.69 2aw9A1 HIS 81 HB2 -0.94 0.14 0.13 -0.04 3.26 2.55 2aw9A1 HIS 81 HB3 -0.69 -0.03 0.01 -0.04 3.20 2.44 2aw9A1 HIS 81 HD2 -0.50 -0.02 -0.03 -0.04 6.97 6.38 2aw9A1 HIS 81 HE1 -0.06 -0.03 -0.02 -0.04 7.75 7.59 2aw9A1 SER 82 H -0.18 0.52 -0.21 -0.55 8.46 8.04 2aw9A1 SER 82 HA 0.29 0.02 0.48 -0.75 4.49 4.52 2aw9A1 SER 82 HB2 -0.15 0.05 0.18 -0.04 3.95 3.99 2aw9A1 SER 82 HB3 0.02 -0.07 0.07 -0.04 3.93 3.91 2aw9A1 MET 83 H -0.13 0.51 -0.26 -0.55 8.47 8.04 2aw9A1 MET 83 HA 0.02 0.03 0.47 -0.75 4.52 4.28 2aw9A1 MET 83 HB2 -0.05 0.10 0.09 -0.04 2.15 2.25 2aw9A1 MET 83 HB3 0.01 0.12 0.03 -0.04 2.03 2.15 2aw9A1 MET 83 HG2 0.10 -0.05 -0.15 -0.04 2.63 2.49 2aw9A1 MET 83 HG3 0.05 -0.01 -0.06 -0.04 2.56 2.50 2aw9A1 MET 83 HE3 0.18 0.02 -0.58 -0.04 2.10 1.68 2aw9A1 PHE 84 H -0.10 0.43 -0.16 -0.55 8.34 7.96 2aw9A1 PHE 84 HA 0.02 0.03 0.29 -0.75 4.62 4.21 2aw9A1 PHE 84 HB2 -0.07 0.06 0.04 -0.04 3.15 3.14 2aw9A1 PHE 84 HB3 -0.73 0.08 0.15 -0.04 3.06 2.52 2aw9A1 PHE 84 HD2 -0.50 0.10 -0.04 -0.04 7.28 6.79 2aw9A1 PHE 84 HE2 0.10 -0.00 0.03 -0.04 7.38 7.47 2aw9A1 PHE 84 HZ 0.22 0.05 0.01 -0.04 7.32 7.55 2aw9A1 TRP 85 H -0.30 0.49 -0.16 -0.55 7.97 7.45 2aw9A1 TRP 85 HA 0.03 -0.01 0.32 -0.75 4.62 4.21 2aw9A1 TRP 85 HB2 0.04 0.11 0.03 -0.04 3.23 3.38 2aw9A1 TRP 85 HB3 -0.06 -0.09 0.06 -0.04 3.23 3.10 2aw9A1 TRP 85 HD1 0.25 0.02 -0.04 -0.04 7.22 7.41 2aw9A1 TRP 85 HE1 0.87 -0.06 -0.12 -0.04 10.20 10.85 2aw9A1 TRP 85 HE3 0.12 0.03 -0.09 -0.04 7.59 7.61 2aw9A1 TRP 85 HZ2 0.25 -0.00 -0.13 -0.04 7.44 7.52 2aw9A1 TRP 85 HZ3 0.31 -0.02 -0.06 -0.04 7.13 7.31 2aw9A1 TRP 85 HH2 -0.55 -0.09 -0.15 -0.04 7.19 6.36 2aw9A1 GLN 86 H 0.16 0.28 -0.39 -0.55 8.47 7.97 2aw9A1 GLN 86 HA 0.14 0.05 0.45 -0.75 4.36 4.25 2aw9A1 GLN 86 HB2 0.09 0.15 0.19 -0.04 2.15 2.54 2aw9A1 GLN 86 HB3 0.07 -0.08 0.01 -0.04 2.02 1.98 2aw9A1 GLN 86 HG2 0.07 -0.07 0.07 -0.04 2.40 2.44 2aw9A1 GLN 86 HG3 0.12 -0.00 0.04 -0.04 2.39 2.51 2aw9A1 GLN 86 HE21 0.06 -0.06 -0.01 -0.04 6.97 6.92 2aw9A1 GLN 86 HE22 0.07 -0.02 0.01 -0.04 7.69 7.72 2aw9A1 ILE 87 H 0.05 0.42 -0.12 -0.55 8.25 8.05 2aw9A1 ILE 87 HA -0.03 0.07 0.85 -0.75 4.18 4.32 2aw9A1 ILE 87 HB -0.11 -0.11 0.27 -0.04 1.89 1.89 2aw9A1 ILE 87 HG12 0.13 -0.20 0.05 -0.04 1.49 1.43 2aw9A1 ILE 87 HG13 0.08 0.24 0.04 -0.04 1.21 1.53 2aw9A1 ILE 87 HG23 0.04 0.02 -0.03 -0.04 0.93 0.92 2aw9A1 ILE 87 HD13 0.08 0.03 -0.06 -0.04 0.88 0.89 2aw9A1 MET 88 H 0.04 0.36 -0.38 -0.55 8.47 7.95 2aw9A1 MET 88 HA -0.26 0.29 1.05 -0.75 4.52 4.85 2aw9A1 MET 88 HB2 -0.01 0.03 0.05 -0.04 2.15 2.18 2aw9A1 MET 88 HB3 -0.23 -0.05 0.05 -0.04 2.03 1.76 2aw9A1 MET 88 HG2 -0.33 0.02 -0.14 -0.04 2.63 2.13 2aw9A1 MET 88 HG3 -0.32 0.17 -0.10 -0.04 2.56 2.27 2aw9A1 MET 88 HE3 -0.16 -0.02 -0.10 -0.04 2.10 1.78 2aw9A1 GLY 89 H -0.23 0.69 0.23 -0.55 8.43 8.58 2aw9A1 GLY 89 HA2 -0.29 0.03 0.43 -0.51 4.01 3.67 2aw9A1 GLY 89 HA3 -0.08 0.00 0.30 -0.51 4.01 3.72 2aw9A1 GLN 90 H -0.12 0.09 0.11 -0.55 8.47 8.00 2aw9A1 GLN 90 HA -0.08 0.17 0.64 -0.75 4.36 4.34 2aw9A1 GLN 90 HB2 -0.08 -0.07 0.12 -0.04 2.15 2.08 2aw9A1 GLN 90 HB3 -0.02 -0.04 0.10 -0.04 2.02 2.02 2aw9A1 GLN 90 HG2 -0.00 -0.00 0.03 -0.04 2.40 2.39 2aw9A1 GLN 90 HG3 -0.01 0.30 0.23 -0.04 2.39 2.87 2aw9A1 GLN 90 HE21 0.01 -0.06 0.03 -0.04 6.97 6.90 2aw9A1 GLN 90 HE22 0.01 0.03 0.05 -0.04 7.69 7.74 2aw9A1 GLY 91 H 0.01 0.19 0.21 -0.55 8.43 8.30 2aw9A1 GLY 91 HA2 0.02 0.04 0.35 -0.51 4.01 3.92 2aw9A1 GLY 91 HA3 0.01 -0.02 0.23 -0.51 4.01 3.72 2aw9A1 GLN 92 H -0.00 0.19 -0.10 -0.55 8.47 8.01 2aw9A1 GLN 92 HA 0.02 0.04 0.76 -0.75 4.36 4.43 2aw9A1 GLN 92 HB2 0.01 0.15 0.08 -0.04 2.15 2.35 2aw9A1 GLN 92 HB3 0.04 -0.15 0.08 -0.04 2.02 1.95 2aw9A1 GLN 92 HG2 -0.06 0.04 -0.43 -0.04 2.40 1.92 2aw9A1 GLN 92 HG3 -0.10 0.21 -0.33 -0.04 2.39 2.12 2aw9A1 GLN 92 HE21 -0.00 -0.10 -0.09 -0.04 6.97 6.74 2aw9A1 GLN 92 HE22 -0.03 0.40 -0.51 -0.04 7.69 7.51 2aw9A1 GLY 93 H 0.04 0.11 0.10 -0.55 8.43 8.14 2aw9A1 GLY 93 HA2 0.02 0.00 0.19 -0.51 4.01 3.71 2aw9A1 GLY 93 HA3 0.04 0.04 0.06 -0.51 4.01 3.64 2aw9A1 ALA 97 HA 0.04 -0.05 0.35 -0.75 4.34 3.92 2aw9A1 ALA 97 HB3 0.02 -0.02 0.02 -0.04 1.41 1.40 2aw9A1 ASN 98 H 0.08 0.12 0.14 -0.55 8.53 8.32 2aw9A1 ASN 98 HA 0.06 -0.08 0.17 -0.75 4.76 4.16 2aw9A1 ASN 98 HB2 0.10 0.14 0.09 -0.04 2.88 3.17 2aw9A1 ASN 98 HB3 0.21 0.08 0.19 -0.04 2.79 3.22 2aw9A1 ASN 98 HD21 0.02 0.38 -0.03 -0.04 7.03 7.36 2aw9A1 ASN 98 HD22 0.17 0.39 0.07 -0.04 7.74 8.32 2aw9A1 GLN 99 H -0.10 0.21 0.23 -0.55 8.47 8.26 2aw9A1 GLN 99 HA -1.06 0.09 0.46 -0.75 4.36 3.09 2aw9A1 GLN 99 HB2 -1.47 -0.04 0.11 -0.04 2.15 0.70 2aw9A1 GLN 99 HB3 -0.84 0.12 -0.00 -0.04 2.02 1.26 2aw9A1 GLN 99 HG2 -0.25 0.20 -0.29 -0.04 2.40 2.02 2aw9A1 GLN 99 HG3 -0.35 -0.05 -0.05 -0.04 2.39 1.90 2aw9A1 GLN 99 HE21 -0.30 -0.13 -0.00 -0.04 6.97 6.50 2aw9A1 GLN 99 HE22 -0.44 0.33 -0.05 -0.04 7.69 7.50 2aw9A1 PRO 100 HA -0.36 0.12 0.68 -0.51 4.44 4.36 2aw9A1 PRO 100 HB2 -0.38 -0.05 0.04 -0.04 2.28 1.85 2aw9A1 PRO 100 HB3 -0.49 0.04 0.06 -0.04 2.02 1.59 2aw9A1 PRO 100 HG2 -0.78 -0.02 -0.05 -0.04 2.03 1.14 2aw9A1 PRO 100 HG3 -1.10 0.07 -0.03 -0.04 2.03 0.94 2aw9A1 PRO 100 HD2 -2.39 0.09 0.18 -0.04 3.68 1.52 2aw9A1 PRO 100 HD3 -2.98 0.17 0.13 -0.04 3.65 0.93 2aw9A1 SER 101 H -0.16 0.23 0.23 -0.55 8.46 8.21 2aw9A1 SER 101 HA -0.19 0.17 0.56 -0.75 4.49 4.28 2aw9A1 SER 101 HB2 -0.09 -0.07 0.17 -0.04 3.95 3.91 2aw9A1 SER 101 HB3 -0.14 0.18 -0.10 -0.04 3.93 3.83 2aw9A1 GLY 102 H -0.07 0.20 0.14 -0.55 8.43 8.16 2aw9A1 GLY 102 HA2 -0.03 0.13 0.33 -0.51 4.01 3.94 2aw9A1 GLY 102 HA3 -0.02 0.07 0.42 -0.51 4.01 3.98 2aw9A1 GLU 103 H 0.03 0.21 0.20 -0.55 8.60 8.49 2aw9A1 GLU 103 HA 0.04 0.08 0.38 -0.75 4.29 4.03 2aw9A1 GLU 103 HB2 0.09 -0.00 0.19 -0.04 2.09 2.32 2aw9A1 GLU 103 HB3 0.21 0.03 0.09 -0.04 1.99 2.28 2aw9A1 GLU 103 HG2 0.30 0.02 0.01 -0.04 2.34 2.63 2aw9A1 GLU 103 HG3 0.10 0.01 0.06 -0.04 2.34 2.47 2aw9A1 LEU 104 H -0.03 0.11 -0.22 -0.55 8.37 7.68 2aw9A1 LEU 104 HA -0.53 0.10 0.29 -0.75 4.35 3.45 2aw9A1 LEU 104 HB2 -0.06 0.03 0.08 -0.04 1.64 1.64 2aw9A1 LEU 104 HB3 -0.08 0.09 0.13 -0.04 1.64 1.73 2aw9A1 LEU 104 HG -0.19 -0.02 -0.36 -0.04 1.64 1.03 2aw9A1 LEU 104 HD13 -0.27 0.01 -0.07 -0.04 0.93 0.56 2aw9A1 LEU 104 HD23 0.18 0.01 -0.13 -0.04 0.89 0.91 2aw9A1 LEU 105 H -0.16 0.30 -0.37 -0.55 8.37 7.58 2aw9A1 LEU 105 HA -0.23 0.04 0.38 -0.75 4.35 3.78 2aw9A1 LEU 105 HB2 -0.26 0.01 -0.37 -0.04 1.64 0.98 2aw9A1 LEU 105 HB3 -0.15 0.01 -0.15 -0.04 1.64 1.32 2aw9A1 LEU 105 HG -0.13 -0.01 -0.22 -0.04 1.64 1.25 2aw9A1 LEU 105 HD13 -0.25 -0.01 -0.02 -0.04 0.93 0.61 2aw9A1 LEU 105 HD23 -0.19 0.08 0.01 -0.04 0.89 0.75 2aw9A1 ASP 106 H -0.09 0.51 -0.37 -0.55 8.40 7.90 2aw9A1 ASP 106 HA -0.05 0.00 0.39 -0.75 4.63 4.22 2aw9A1 ASP 106 HB2 -0.03 0.19 0.14 -0.04 2.71 2.97 2aw9A1 ASP 106 HB3 -0.02 -0.01 0.00 -0.04 2.70 2.63 2aw9A1 ALA 107 H -0.14 0.58 -0.01 -0.55 8.40 8.29 2aw9A1 ALA 107 HA -0.05 0.01 0.37 -0.75 4.34 3.91 2aw9A1 ALA 107 HB3 -0.32 0.03 0.09 -0.04 1.41 1.17 2aw9A1 ILE 108 H -0.14 0.60 -0.26 -0.55 8.25 7.91 2aw9A1 ILE 108 HA 0.18 0.02 0.39 -0.75 4.18 4.02 2aw9A1 ILE 108 HB -0.11 0.14 0.11 -0.04 1.89 1.98 2aw9A1 ILE 108 HG12 -0.36 -0.02 -0.06 -0.04 1.49 1.01 2aw9A1 ILE 108 HG13 -0.20 0.04 -0.05 -0.04 1.21 0.97 2aw9A1 ILE 108 HG23 0.05 -0.04 -0.34 -0.04 0.93 0.56 2aw9A1 ILE 108 HD13 -0.33 -0.03 -0.14 -0.04 0.88 0.34 2aw9A1 ASN 109 H -0.03 0.68 -0.11 -0.55 8.53 8.52 2aw9A1 ASN 109 HA 0.05 -0.11 0.18 -0.75 4.76 4.12 2aw9A1 ASN 109 HB2 -0.02 0.13 0.18 -0.04 2.88 3.12 2aw9A1 ASN 109 HB3 -0.01 0.01 -0.04 -0.04 2.79 2.71 2aw9A1 ASN 109 HD21 -0.05 -0.08 -0.07 -0.04 7.03 6.79 2aw9A1 ASN 109 HD22 -0.04 -0.01 -0.09 -0.04 7.74 7.56 2aw9A1 SER 110 H -0.03 0.67 -0.09 -0.55 8.46 8.47 2aw9A1 SER 110 HA -0.02 0.02 0.28 -0.75 4.49 4.01 2aw9A1 SER 110 HB2 -0.02 -0.05 0.07 -0.04 3.95 3.91 2aw9A1 SER 110 HB3 -0.02 0.00 0.08 -0.04 3.93 3.95 2aw9A1 ALA 111 H -0.11 0.53 -0.04 -0.55 8.40 8.24 2aw9A1 ALA 111 HA -0.22 0.05 0.47 -0.75 4.34 3.90 2aw9A1 ALA 111 HB3 -0.54 -0.01 0.12 -0.04 1.41 0.94 2aw9A1 PHE 112 H 0.01 0.47 -0.15 -0.55 8.34 8.12 2aw9A1 PHE 112 HA 0.06 0.21 0.96 -0.75 4.62 5.10 2aw9A1 PHE 112 HB2 0.09 0.13 0.03 -0.04 3.15 3.35 2aw9A1 PHE 112 HB3 0.12 -0.13 0.01 -0.04 3.06 3.02 2aw9A1 PHE 112 HD2 0.06 0.03 0.01 -0.04 7.28 7.34 2aw9A1 PHE 112 HE2 0.10 -0.04 -0.11 -0.04 7.38 7.28 2aw9A1 PHE 112 HZ 0.22 -0.09 -0.40 -0.04 7.32 7.01 2aw9A1 GLY 113 H 0.07 0.61 0.03 -0.55 8.43 8.60 2aw9A1 GLY 113 HA2 0.04 0.05 0.41 -0.51 4.01 4.00 2aw9A1 GLY 113 HA3 0.06 0.09 0.72 -0.51 4.01 4.37 2aw9A1 SER 114 H 0.13 0.39 -0.29 -0.55 8.46 8.15 2aw9A1 SER 114 HA 0.05 0.13 0.34 -0.75 4.49 4.25 2aw9A1 SER 114 HB2 0.03 -0.09 0.16 -0.04 3.95 4.00 2aw9A1 SER 114 HB3 0.02 0.27 0.02 -0.04 3.93 4.21 2aw9A1 PHE 115 H 0.12 0.22 0.11 -0.55 8.34 8.23 2aw9A1 PHE 115 HA -0.04 0.12 0.49 -0.75 4.62 4.43 2aw9A1 PHE 115 HB2 -0.21 0.04 0.11 -0.04 3.15 3.05 2aw9A1 PHE 115 HB3 -0.17 0.01 0.13 -0.04 3.06 2.98 2aw9A1 PHE 115 HD2 -0.31 -0.02 -0.03 -0.04 7.28 6.87 2aw9A1 PHE 115 HE2 -0.55 0.06 0.00 -0.04 7.38 6.85 2aw9A1 PHE 115 HZ 0.03 0.10 0.04 -0.04 7.32 7.45 2aw9A1 ASP 116 H 0.00 0.13 -0.06 -0.55 8.40 7.92 2aw9A1 ASP 116 HA -0.32 0.11 0.32 -0.75 4.63 3.98 2aw9A1 ASP 116 HB2 -0.05 -0.03 0.05 -0.04 2.71 2.65 2aw9A1 ASP 116 HB3 -0.09 0.06 -0.03 -0.04 2.70 2.60 2aw9A1 ALA 117 H -0.04 0.05 -0.57 -0.55 8.40 7.29 2aw9A1 ALA 117 HA -0.05 0.06 0.34 -0.75 4.34 3.93 2aw9A1 ALA 117 HB3 0.06 0.03 0.04 -0.04 1.41 1.50 2aw9A1 PHE 118 H 0.01 0.32 -0.16 -0.55 8.34 7.96 2aw9A1 PHE 118 HA -0.49 0.05 0.44 -0.75 4.62 3.87 2aw9A1 PHE 118 HB2 -0.47 0.03 0.07 -0.04 3.15 2.73 2aw9A1 PHE 118 HB3 -0.33 0.04 0.22 -0.04 3.06 2.95 2aw9A1 PHE 118 HD2 -1.05 0.02 -0.03 -0.04 7.28 6.18 2aw9A1 PHE 118 HE2 0.09 0.02 -0.10 -0.04 7.38 7.35 2aw9A1 PHE 118 HZ -0.07 0.01 -0.13 -0.04 7.32 7.09 2aw9A1 LYS 119 H -0.67 0.63 -0.14 -0.55 8.42 7.70 2aw9A1 LYS 119 HA -1.07 -0.00 0.35 -0.75 4.32 2.85 2aw9A1 LYS 119 HB2 -0.69 0.12 0.12 -0.04 1.87 1.38 2aw9A1 LYS 119 HB3 -0.82 -0.02 -0.04 -0.04 1.79 0.88 2aw9A1 LYS 119 HG2 -2.59 -0.03 0.01 -0.04 1.46 -1.19 2aw9A1 LYS 119 HG3 -1.76 0.10 -0.02 -0.04 1.46 -0.27 2aw9A1 LYS 119 HD2 -2.10 0.01 -0.00 -0.04 1.69 -0.45 2aw9A1 LYS 119 HD3 -1.45 0.04 -0.01 -0.04 1.68 0.22 2aw9A1 LYS 119 HE2 -0.63 -0.09 -0.12 -0.04 2.99 2.11 2aw9A1 LYS 119 HE3 -0.57 0.00 -0.01 -0.04 2.99 2.38 2aw9A1 GLN 120 H -0.25 0.46 -0.14 -0.55 8.47 8.00 2aw9A1 GLN 120 HA -0.06 0.00 0.55 -0.75 4.36 4.10 2aw9A1 GLN 120 HB2 -0.08 0.20 0.13 -0.04 2.15 2.36 2aw9A1 GLN 120 HB3 -0.04 -0.04 -0.12 -0.04 2.02 1.78 2aw9A1 GLN 120 HG2 -0.05 -0.05 0.03 -0.04 2.40 2.29 2aw9A1 GLN 120 HG3 -0.10 0.08 0.07 -0.04 2.39 2.40 2aw9A1 GLN 120 HE21 -0.03 -0.03 -0.05 -0.04 6.97 6.83 2aw9A1 GLN 120 HE22 -0.05 -0.01 -0.06 -0.04 7.69 7.53 2aw9A1 LYS 121 H -0.15 0.56 -0.12 -0.55 8.42 8.15 2aw9A1 LYS 121 HA 0.00 0.01 0.44 -0.75 4.32 4.02 2aw9A1 LYS 121 HB2 0.05 0.07 0.15 -0.04 1.87 2.09 2aw9A1 LYS 121 HB3 -0.11 0.07 0.20 -0.04 1.79 1.92 2aw9A1 LYS 121 HG2 0.28 -0.03 0.01 -0.04 1.46 1.68 2aw9A1 LYS 121 HG3 0.11 -0.04 0.01 -0.04 1.46 1.51 2aw9A1 LYS 121 HD2 0.11 -0.03 0.03 -0.04 1.69 1.77 2aw9A1 LYS 121 HD3 0.17 0.03 0.04 -0.04 1.68 1.87 2aw9A1 LYS 121 HE2 0.15 -0.02 0.03 -0.04 2.99 3.11 2aw9A1 LYS 121 HE3 0.30 0.06 0.04 -0.04 2.99 3.36 2aw9A1 PHE 122 H -0.20 0.67 -0.07 -0.55 8.34 8.18 2aw9A1 PHE 122 HA -0.05 -0.00 0.29 -0.75 4.62 4.10 2aw9A1 PHE 122 HB2 -0.59 0.03 0.02 -0.04 3.15 2.58 2aw9A1 PHE 122 HB3 -0.07 0.09 0.08 -0.04 3.06 3.12 2aw9A1 PHE 122 HD2 0.06 0.04 -0.22 -0.04 7.28 7.12 2aw9A1 PHE 122 HE2 -0.14 -0.03 -0.35 -0.04 7.38 6.82 2aw9A1 PHE 122 HZ -0.09 -0.04 -0.30 -0.04 7.32 6.84 2aw9A1 GLU 123 H 0.14 0.77 -0.04 -0.55 8.60 8.92 2aw9A1 GLU 123 HA -0.04 -0.01 0.38 -0.75 4.29 3.87 2aw9A1 GLU 123 HB2 0.05 0.05 0.14 -0.04 2.09 2.29 2aw9A1 GLU 123 HB3 0.02 -0.08 0.03 -0.04 1.99 1.91 2aw9A1 GLU 123 HG2 0.26 -0.04 -0.05 -0.04 2.34 2.46 2aw9A1 GLU 123 HG3 0.46 0.27 0.04 -0.04 2.34 3.06 2aw9A1 ASP 124 H -0.03 0.60 -0.36 -0.55 8.40 8.06 2aw9A1 ASP 124 HA -0.05 -0.02 0.41 -0.75 4.63 4.21 2aw9A1 ASP 124 HB2 -0.02 0.19 0.14 -0.04 2.71 2.98 2aw9A1 ASP 124 HB3 -0.02 -0.06 -0.08 -0.04 2.70 2.50 2aw9A1 ALA 125 H -0.09 0.51 -0.11 -0.55 8.40 8.16 2aw9A1 ALA 125 HA -0.05 0.02 0.41 -0.75 4.34 3.96 2aw9A1 ALA 125 HB3 -0.10 0.01 -0.03 -0.04 1.41 1.25 2aw9A1 ALA 126 H -0.32 0.52 -0.19 -0.55 8.40 7.87 2aw9A1 ALA 126 HA -0.27 0.00 0.26 -0.75 4.34 3.58 2aw9A1 ALA 126 HB3 -0.41 0.00 0.01 -0.04 1.41 0.97 2aw9A1 LYS 127 H -0.13 0.59 -0.06 -0.55 8.42 8.26 2aw9A1 LYS 127 HA -0.11 -0.00 0.42 -0.75 4.32 3.87 2aw9A1 LYS 127 HB2 -0.06 0.03 0.16 -0.04 1.87 1.95 2aw9A1 LYS 127 HB3 -0.05 -0.07 -0.02 -0.04 1.79 1.61 2aw9A1 LYS 127 HG2 -0.10 -0.09 -0.02 -0.04 1.46 1.21 2aw9A1 LYS 127 HG3 -0.09 0.21 0.03 -0.04 1.46 1.57 2aw9A1 LYS 127 HD2 -0.04 -0.01 -0.02 -0.04 1.69 1.57 2aw9A1 LYS 127 HD3 -0.05 -0.10 -0.01 -0.04 1.68 1.47 2aw9A1 LYS 127 HE2 -0.04 0.03 -0.21 -0.04 2.99 2.73 2aw9A1 LYS 127 HE3 -0.03 0.01 -0.08 -0.04 2.99 2.84 2aw9A1 THR 128 H -0.06 0.64 -0.14 -0.55 8.28 8.19 2aw9A1 THR 128 HA 0.01 -0.00 0.21 -0.75 4.39 3.85 2aw9A1 THR 128 HB -0.00 -0.11 0.11 -0.04 4.32 4.27 2aw9A1 THR 128 HG23 -0.01 -0.01 0.03 -0.04 1.22 1.19 2aw9A1 ARG 129 H -0.06 0.25 -0.66 -0.55 8.46 7.44 2aw9A1 ARG 129 HA 0.02 -0.06 0.61 -0.75 4.34 4.15 2aw9A1 ARG 129 HB2 -0.06 -0.01 -0.04 -0.04 1.90 1.75 2aw9A1 ARG 129 HB3 -0.11 0.23 0.01 -0.04 1.80 1.89 2aw9A1 ARG 129 HG2 -0.09 -0.14 -0.27 -0.04 1.67 1.14 2aw9A1 ARG 129 HG3 -0.12 0.06 -0.53 -0.04 1.67 1.04 2aw9A1 ARG 129 HD2 -0.03 0.05 -0.34 -0.04 3.22 2.85 2aw9A1 ARG 129 HD3 -0.01 0.02 -0.31 -0.04 3.22 2.89 2aw9A1 PHE 130 H 0.13 0.09 0.10 -0.55 8.34 8.12 2aw9A1 PHE 130 HA -0.07 0.12 0.52 -0.75 4.62 4.43 2aw9A1 PHE 130 HB2 -0.05 0.11 0.03 -0.04 3.15 3.20 2aw9A1 PHE 130 HB3 -0.05 -0.05 0.10 -0.04 3.06 3.02 2aw9A1 PHE 130 HD2 -0.05 0.04 -0.09 -0.04 7.28 7.14 2aw9A1 PHE 130 HE2 -0.04 -0.02 -0.01 -0.04 7.38 7.27 2aw9A1 PHE 130 HZ -0.03 -0.03 0.01 -0.04 7.32 7.22 2aw9A1 GLY 131 H -0.81 0.09 0.17 -0.55 8.43 7.34 2aw9A1 GLY 131 HA2 -0.45 -0.05 0.36 -0.51 4.01 3.35 2aw9A1 GLY 131 HA3 -0.31 0.02 0.68 -0.51 4.01 3.89 2aw9A1 SER 132 H -0.44 0.06 0.22 -0.55 8.46 7.76 2aw9A1 SER 132 HA -0.72 0.13 0.39 -0.75 4.49 3.54 2aw9A1 SER 132 HB2 -1.36 -0.04 0.15 -0.04 3.95 2.65 2aw9A1 SER 132 HB3 -3.18 -0.04 0.15 -0.04 3.93 0.82 2aw9A1 GLY 133 H -0.44 0.12 0.07 -0.55 8.43 7.63 2aw9A1 GLY 133 HA2 0.32 0.14 0.19 -0.51 4.01 4.14 2aw9A1 GLY 133 HA3 0.01 0.31 0.73 -0.51 4.01 4.55 2aw9A1 TRP 134 H 0.23 0.53 0.29 -0.55 7.97 8.48 2aw9A1 TRP 134 HA -0.39 0.17 0.96 -0.75 4.62 4.61 2aw9A1 TRP 134 HB2 -0.17 0.03 -0.08 -0.04 3.23 2.97 2aw9A1 TRP 134 HB3 -1.53 -0.01 -0.12 -0.04 3.23 1.52 2aw9A1 TRP 134 HD1 0.21 0.16 -0.31 -0.04 7.22 7.24 2aw9A1 TRP 134 HE1 -0.14 -0.02 -0.07 -0.04 10.20 9.93 2aw9A1 TRP 134 HE3 -1.01 -0.01 -0.40 -0.04 7.59 6.12 2aw9A1 TRP 134 HZ2 -1.16 -0.02 -0.08 -0.04 7.44 6.14 2aw9A1 TRP 134 HZ3 -0.64 0.05 -0.22 -0.04 7.13 6.28 2aw9A1 TRP 134 HH2 -1.20 0.00 -0.19 -0.04 7.19 5.77 2aw9A1 ALA 135 H -0.53 0.42 0.31 -0.55 8.40 8.06 2aw9A1 ALA 135 HA -0.25 0.27 1.07 -0.75 4.34 4.68 2aw9A1 ALA 135 HB3 -0.67 0.00 -0.01 -0.04 1.41 0.69 2aw9A1 TRP 136 H 0.16 0.77 0.37 -0.55 7.97 8.72 2aw9A1 TRP 136 HA 0.31 0.29 1.11 -0.75 4.62 5.58 2aw9A1 TRP 136 HB2 0.12 -0.06 -0.13 -0.04 3.23 3.13 2aw9A1 TRP 136 HB3 0.14 -0.00 -0.14 -0.04 3.23 3.19 2aw9A1 TRP 136 HD1 0.07 0.02 -0.43 -0.04 7.22 6.83 2aw9A1 TRP 136 HE1 0.07 0.09 -0.24 -0.04 10.20 10.08 2aw9A1 TRP 136 HE3 0.08 0.10 -0.22 -0.04 7.59 7.50 2aw9A1 TRP 136 HZ2 -0.69 0.21 -0.11 -0.04 7.44 6.81 2aw9A1 TRP 136 HZ3 -0.19 0.02 -0.18 -0.04 7.13 6.74 2aw9A1 TRP 136 HH2 -0.97 -0.01 -0.10 -0.04 7.19 6.07 2aw9A1 LEU 137 H 0.59 0.68 0.31 -0.55 8.37 9.40 2aw9A1 LEU 137 HA 0.47 0.28 0.82 -0.75 4.35 5.16 2aw9A1 LEU 137 HB2 0.48 0.01 0.06 -0.04 1.64 2.15 2aw9A1 LEU 137 HB3 0.35 -0.09 0.21 -0.04 1.64 2.07 2aw9A1 LEU 137 HG 0.24 -0.03 -0.29 -0.04 1.64 1.51 2aw9A1 LEU 137 HD13 0.31 0.06 -0.06 -0.04 0.93 1.20 2aw9A1 LEU 137 HD23 0.07 -0.01 -0.11 -0.04 0.89 0.79 2aw9A1 VAL 138 H 0.30 0.66 0.16 -0.55 8.24 8.82 2aw9A1 VAL 138 HA 0.17 0.22 0.67 -0.75 4.13 4.43 2aw9A1 VAL 138 HB 0.06 -0.06 -0.33 -0.04 2.12 1.75 2aw9A1 VAL 138 HG13 0.08 -0.01 -0.52 -0.04 0.97 0.47 2aw9A1 VAL 138 HG23 0.14 0.06 -0.28 -0.04 0.95 0.83 2aw9A1 VAL 139 H 0.11 0.54 0.21 -0.55 8.24 8.54 2aw9A1 VAL 139 HA 0.14 0.28 0.64 -0.75 4.13 4.44 2aw9A1 VAL 139 HB 0.07 0.00 0.06 -0.04 2.12 2.21 2aw9A1 VAL 139 HG13 0.05 -0.01 -0.33 -0.04 0.97 0.65 2aw9A1 VAL 139 HG23 0.23 0.02 -0.15 -0.04 0.95 1.01 2aw9A1 LYS 140 H 0.07 0.71 -0.03 -0.55 8.42 8.62 2aw9A1 LYS 140 HA 0.02 0.02 0.74 -0.75 4.32 4.35 2aw9A1 LYS 140 HB2 0.05 0.03 -0.23 -0.04 1.87 1.68 2aw9A1 LYS 140 HB3 0.06 0.11 -0.07 -0.04 1.79 1.85 2aw9A1 LYS 140 HG2 0.04 0.03 -0.12 -0.04 1.46 1.36 2aw9A1 LYS 140 HG3 0.02 0.00 -0.26 -0.04 1.46 1.19 2aw9A1 LYS 140 HD2 0.01 -0.06 -0.05 -0.04 1.69 1.55 2aw9A1 LYS 140 HD3 0.02 0.09 -0.31 -0.04 1.68 1.43 2aw9A1 LYS 140 HE2 0.02 0.02 -0.11 -0.04 2.99 2.87 2aw9A1 LYS 140 HE3 0.01 0.01 -0.12 -0.04 2.99 2.86 2aw9A1 ASP 141 H 0.01 0.17 0.08 -0.55 8.40 8.12 2aw9A1 ASP 141 HA 0.01 0.05 0.34 -0.75 4.63 4.27 2aw9A1 ASP 141 HB2 0.01 0.19 0.10 -0.04 2.71 2.97 2aw9A1 ASP 141 HB3 0.01 0.01 0.19 -0.04 2.70 2.87 2aw9A1 GLY 142 H 0.02 0.07 -0.21 -0.55 8.43 7.77 2aw9A1 GLY 142 HA2 0.01 0.05 0.21 -0.51 4.01 3.77 2aw9A1 GLY 142 HA3 0.02 0.07 0.24 -0.51 4.01 3.83 2aw9A1 LYS 143 H 0.04 0.38 -0.88 -0.55 8.42 7.41 2aw9A1 LYS 143 HA 0.05 0.08 0.77 -0.75 4.32 4.46 2aw9A1 LYS 143 HB2 0.02 0.15 0.08 -0.04 1.87 2.07 2aw9A1 LYS 143 HB3 -0.01 0.07 0.01 -0.04 1.79 1.82 2aw9A1 LYS 143 HG2 -0.02 -0.01 0.03 -0.04 1.46 1.42 2aw9A1 LYS 143 HG3 0.01 -0.01 -0.10 -0.04 1.46 1.31 2aw9A1 LYS 143 HD2 0.01 0.12 0.06 -0.04 1.69 1.83 2aw9A1 LYS 143 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.61 2aw9A1 LYS 143 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 2aw9A1 LYS 143 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 2aw9A1 LEU 144 H 0.01 0.12 0.16 -0.55 8.37 8.12 2aw9A1 LEU 144 HA 0.15 0.27 0.89 -0.75 4.35 4.91 2aw9A1 LEU 144 HB2 0.01 -0.02 0.04 -0.04 1.64 1.63 2aw9A1 LEU 144 HB3 0.31 0.03 -0.06 -0.04 1.64 1.88 2aw9A1 LEU 144 HG 0.06 -0.02 -0.08 -0.04 1.64 1.57 2aw9A1 LEU 144 HD13 -0.02 -0.01 -0.23 -0.04 0.93 0.63 2aw9A1 LEU 144 HD23 0.18 -0.00 -0.18 -0.04 0.89 0.85 2aw9A1 ASP 145 H 0.23 0.60 0.30 -0.55 8.40 8.98 2aw9A1 ASP 145 HA 0.29 0.13 0.40 -0.75 4.63 4.70 2aw9A1 ASP 145 HB2 0.10 0.06 -0.18 -0.04 2.71 2.64 2aw9A1 ASP 145 HB3 0.16 -0.04 -0.10 -0.04 2.70 2.67 2aw9A1 VAL 146 H 0.37 0.23 0.17 -0.55 8.24 8.46 2aw9A1 VAL 146 HA 0.39 0.31 1.12 -0.75 4.13 5.19 2aw9A1 VAL 146 HB 0.30 -0.03 0.08 -0.04 2.12 2.43 2aw9A1 VAL 146 HG13 0.15 0.02 -0.27 -0.04 0.97 0.83 2aw9A1 VAL 146 HG23 0.37 -0.01 -0.11 -0.04 0.95 1.15 2aw9A1 VAL 147 H 0.29 0.54 0.30 -0.55 8.24 8.81 2aw9A1 VAL 147 HA 0.14 0.15 0.73 -0.75 4.13 4.39 2aw9A1 VAL 147 HB 0.16 0.06 0.03 -0.04 2.12 2.33 2aw9A1 VAL 147 HG13 0.13 -0.02 -0.33 -0.04 0.97 0.71 2aw9A1 VAL 147 HG23 0.25 -0.02 -0.28 -0.04 0.95 0.87 2aw9A1 SER 148 H 0.14 0.23 0.16 -0.55 8.46 8.45 2aw9A1 SER 148 HA 0.30 0.16 0.80 -0.75 4.49 4.99 2aw9A1 SER 148 HB2 0.01 0.21 0.16 -0.04 3.95 4.29 2aw9A1 SER 148 HB3 -0.00 -0.08 -0.20 -0.04 3.93 3.61 2aw9A1 THR 149 H 0.27 0.54 0.29 -0.55 8.28 8.83 2aw9A1 THR 149 HA 0.18 0.22 0.85 -0.75 4.39 4.89 2aw9A1 THR 149 HB 0.24 -0.01 -0.18 -0.04 4.32 4.32 2aw9A1 THR 149 HG23 0.19 -0.03 -0.50 -0.04 1.22 0.83 2aw9A1 ALA 150 H 0.13 0.17 0.15 -0.55 8.40 8.30 2aw9A1 ALA 150 HA 0.08 0.28 0.76 -0.75 4.34 4.70 2aw9A1 ALA 150 HB3 0.06 -0.00 0.13 -0.04 1.41 1.56 2aw9A1 ASN 151 H 0.03 0.56 0.08 -0.55 8.53 8.65 2aw9A1 ASN 151 HA 0.36 -0.05 0.18 -0.75 4.76 4.50 2aw9A1 ASN 151 HB2 0.23 -0.00 -0.12 -0.04 2.88 2.95 2aw9A1 ASN 151 HB3 0.46 0.01 0.07 -0.04 2.79 3.29 2aw9A1 ASN 151 HD21 0.01 0.04 0.01 -0.04 7.03 7.04 2aw9A1 ASN 151 HD22 0.08 0.03 -0.10 -0.04 7.74 7.71 2aw9A1 GLN 152 H 0.31 0.08 0.12 -0.55 8.47 8.42 2aw9A1 GLN 152 HA 0.23 0.20 0.75 -0.75 4.36 4.78 2aw9A1 GLN 152 HB2 0.03 0.01 0.17 -0.04 2.15 2.33 2aw9A1 GLN 152 HB3 -0.14 -0.09 -0.07 -0.04 2.02 1.69 2aw9A1 GLN 152 HG2 0.18 -0.14 -0.12 -0.04 2.40 2.27 2aw9A1 GLN 152 HG3 -0.59 0.07 0.07 -0.04 2.39 1.90 2aw9A1 GLN 152 HE21 -0.45 -0.03 -0.05 -0.04 6.97 6.40 2aw9A1 GLN 152 HE22 -1.02 -0.05 -0.06 -0.04 7.69 6.51 2aw9A1 ASP 153 H 0.19 0.37 -0.03 -0.55 8.40 8.38 2aw9A1 ASP 153 HA 0.00 0.02 0.59 -0.75 4.63 4.48 2aw9A1 ASP 153 HB2 0.13 0.06 0.06 -0.04 2.71 2.92 2aw9A1 ASP 153 HB3 0.04 -0.04 0.03 -0.04 2.70 2.68 2aw9A1 ASN 154 H -0.12 0.18 0.16 -0.55 8.53 8.20 2aw9A1 ASN 154 HA -0.60 0.21 0.63 -0.75 4.76 4.25 2aw9A1 ASN 154 HB2 -0.33 0.16 -0.12 -0.04 2.88 2.56 2aw9A1 ASN 154 HB3 -0.28 -0.08 0.05 -0.04 2.79 2.43 2aw9A1 ASN 154 HD21 -0.61 0.02 -0.12 -0.04 7.03 6.29 2aw9A1 ASN 154 HD22 -0.49 0.06 -0.12 -0.04 7.74 7.14 2aw9A1 PRO 155 HA -0.19 0.12 0.10 -0.51 4.44 3.97 2aw9A1 PRO 155 HB2 -0.30 0.23 -0.28 -0.04 2.28 1.89 2aw9A1 PRO 155 HB3 -0.16 -0.05 -0.36 -0.04 2.02 1.41 2aw9A1 PRO 155 HG2 -0.63 0.02 -0.25 -0.04 2.03 1.12 2aw9A1 PRO 155 HG3 -0.38 0.06 -0.27 -0.04 2.03 1.39 2aw9A1 PRO 155 HD2 -1.57 0.10 0.01 -0.04 3.68 2.19 2aw9A1 PRO 155 HD3 -1.60 0.20 -0.04 -0.04 3.65 2.16 2aw9A1 LEU 156 H -0.35 0.05 -0.43 -0.55 8.37 7.09 2aw9A1 LEU 156 HA -0.13 0.11 0.55 -0.75 4.35 4.12 2aw9A1 LEU 156 HB2 -0.21 -0.05 -0.07 -0.04 1.64 1.28 2aw9A1 LEU 156 HB3 -0.12 0.06 -0.04 -0.04 1.64 1.50 2aw9A1 LEU 156 HG -0.25 -0.04 0.04 -0.04 1.64 1.35 2aw9A1 LEU 156 HD13 -0.13 0.03 -0.00 -0.04 0.93 0.79 2aw9A1 LEU 156 HD23 -0.10 0.03 0.04 -0.04 0.89 0.82 2aw9A1 MET 157 H -0.15 0.63 -0.16 -0.55 8.47 8.24 2aw9A1 MET 157 HA -0.06 0.28 0.72 -0.75 4.52 4.70 2aw9A1 MET 157 HB2 -0.07 -0.01 0.08 -0.04 2.15 2.12 2aw9A1 MET 157 HB3 -0.05 -0.09 0.19 -0.04 2.03 2.04 2aw9A1 MET 157 HG2 -0.08 0.10 0.11 -0.04 2.63 2.72 2aw9A1 MET 157 HG3 -0.13 -0.00 0.12 -0.04 2.56 2.51 2aw9A1 MET 157 HE3 -0.07 0.05 0.08 -0.04 2.10 2.12 2aw9A1 GLY 158 H -0.08 0.47 -0.34 -0.55 8.43 7.93 2aw9A1 GLY 158 HA2 -0.04 0.01 0.43 -0.51 4.01 3.90 2aw9A1 GLY 158 HA3 -0.03 0.07 0.61 -0.51 4.01 4.15 2aw9A1 GLU 159 H -0.01 0.12 0.08 -0.55 8.60 8.24 2aw9A1 GLU 159 HA -0.00 0.12 0.08 -0.75 4.29 3.73 2aw9A1 GLU 159 HB2 -0.00 -0.00 -0.05 -0.04 2.09 1.99 2aw9A1 GLU 159 HB3 -0.00 -0.04 0.01 -0.04 1.99 1.92 2aw9A1 GLU 159 HG2 0.01 0.01 -0.22 -0.04 2.34 2.09 2aw9A1 GLU 159 HG3 0.01 0.06 -0.22 -0.04 2.34 2.14 2aw9A1 ALA 160 H -0.01 0.07 -0.15 -0.55 8.40 7.77 2aw9A1 ALA 160 HA 0.00 0.07 0.31 -0.75 4.34 3.97 2aw9A1 ALA 160 HB3 -0.00 0.01 0.05 -0.04 1.41 1.43 2aw9A1 ILE 161 H -0.01 0.20 -0.41 -0.55 8.25 7.47 2aw9A1 ILE 161 HA 0.00 0.17 0.72 -0.75 4.18 4.32 2aw9A1 ILE 161 HB -0.02 0.16 0.03 -0.04 1.89 2.01 2aw9A1 ILE 161 HG12 -0.01 -0.02 -0.05 -0.04 1.49 1.37 2aw9A1 ILE 161 HG13 -0.01 -0.08 -0.22 -0.04 1.21 0.87 2aw9A1 ILE 161 HG23 -0.01 -0.02 -0.23 -0.04 0.93 0.64 2aw9A1 ILE 161 HD13 -0.02 0.03 -0.01 -0.04 0.88 0.84 2aw9A1 ALA 162 H -0.02 0.67 0.03 -0.55 8.40 8.54 2aw9A1 ALA 162 HA 0.02 0.12 0.73 -0.75 4.34 4.46 2aw9A1 ALA 162 HB3 -0.03 0.03 -0.10 -0.04 1.41 1.27 2aw9A1 GLY 163 H 0.01 0.39 -0.16 -0.55 8.43 8.12 2aw9A1 GLY 163 HA2 0.02 0.07 0.32 -0.51 4.01 3.91 2aw9A1 GLY 163 HA3 0.03 0.08 0.55 -0.51 4.01 4.17 2aw9A1 VAL 164 H 0.01 0.19 -0.52 -0.55 8.24 7.36 2aw9A1 VAL 164 HA 0.02 0.13 0.64 -0.75 4.13 4.17 2aw9A1 VAL 164 HB 0.05 -0.06 0.04 -0.04 2.12 2.10 2aw9A1 VAL 164 HG13 0.07 -0.01 -0.17 -0.04 0.97 0.82 2aw9A1 VAL 164 HG23 0.05 0.02 -0.30 -0.04 0.95 0.68 2aw9A1 SER 165 H 0.01 0.34 0.12 -0.55 8.46 8.38 2aw9A1 SER 165 HA -0.06 0.35 0.71 -0.75 4.49 4.73 2aw9A1 SER 165 HB2 -0.03 0.00 0.12 -0.04 3.95 4.00 2aw9A1 SER 165 HB3 -0.02 -0.11 -0.31 -0.04 3.93 3.45 2aw9A1 GLY 166 H -0.05 0.19 0.11 -0.55 8.43 8.14 2aw9A1 GLY 166 HA2 -0.01 0.03 0.42 -0.51 4.01 3.95 2aw9A1 GLY 166 HA3 0.01 0.15 0.57 -0.51 4.01 4.23 2aw9A1 THR 167 H 0.01 0.74 0.27 -0.55 8.28 8.76 2aw9A1 THR 167 HA -0.08 0.21 0.92 -0.75 4.39 4.69 2aw9A1 THR 167 HB 0.02 -0.08 0.18 -0.04 4.32 4.39 2aw9A1 THR 167 HG23 -0.01 0.04 -0.20 -0.04 1.22 1.00 2aw9A1 PRO 168 HA 0.13 0.09 0.22 -0.51 4.44 4.38 2aw9A1 PRO 168 HB2 0.04 0.05 -0.13 -0.04 2.28 2.20 2aw9A1 PRO 168 HB3 -0.08 0.02 -0.08 -0.04 2.02 1.84 2aw9A1 PRO 168 HG2 -0.38 0.05 -0.00 -0.04 2.03 1.65 2aw9A1 PRO 168 HG3 -0.82 -0.04 -0.04 -0.04 2.03 1.10 2aw9A1 PRO 168 HD2 -0.16 0.12 0.13 -0.04 3.68 3.73 2aw9A1 PRO 168 HD3 -0.25 0.23 0.13 -0.04 3.65 3.72 2aw9A1 ILE 169 H 0.22 0.67 0.45 -0.55 8.25 9.04 2aw9A1 ILE 169 HA 0.13 0.18 0.69 -0.75 4.18 4.42 2aw9A1 ILE 169 HB 0.17 -0.02 0.15 -0.04 1.89 2.15 2aw9A1 ILE 169 HG12 0.22 0.20 -0.01 -0.04 1.49 1.86 2aw9A1 ILE 169 HG13 0.20 -0.05 -0.24 -0.04 1.21 1.08 2aw9A1 ILE 169 HG23 0.16 0.02 -0.20 -0.04 0.93 0.87 2aw9A1 ILE 169 HD13 0.23 -0.01 -0.12 -0.04 0.88 0.93 2aw9A1 LEU 170 H 0.33 0.32 0.32 -0.55 8.37 8.78 2aw9A1 LEU 170 HA 0.20 0.17 0.50 -0.75 4.35 4.46 2aw9A1 LEU 170 HB2 0.10 0.09 -0.02 -0.04 1.64 1.77 2aw9A1 LEU 170 HB3 0.24 -0.10 0.03 -0.04 1.64 1.76 2aw9A1 LEU 170 HG 0.19 0.03 -0.31 -0.04 1.64 1.51 2aw9A1 LEU 170 HD13 -0.11 0.01 0.02 -0.04 0.93 0.81 2aw9A1 LEU 170 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.66 2aw9A1 GLY 171 H 0.29 0.40 0.16 -0.55 8.43 8.73 2aw9A1 GLY 171 HA2 0.03 0.39 0.96 -0.51 4.01 4.89 2aw9A1 GLY 171 HA3 -0.16 -0.01 0.16 -0.51 4.01 3.49 2aw9A1 VAL 172 H -0.26 0.53 0.30 -0.55 8.24 8.25 2aw9A1 VAL 172 HA -0.20 0.16 0.76 -0.75 4.13 4.10 2aw9A1 VAL 172 HB -0.96 0.02 -0.03 -0.04 2.12 1.11 2aw9A1 VAL 172 HG13 -0.55 0.00 -0.01 -0.04 0.97 0.37 2aw9A1 VAL 172 HG23 -0.91 0.04 -0.17 -0.04 0.95 -0.13 2aw9A1 ASP 173 H -1.14 0.16 0.07 -0.55 8.40 6.95 2aw9A1 ASP 173 HA -2.54 0.11 0.62 -0.75 4.63 2.06 2aw9A1 ASP 173 HB2 -2.34 0.03 0.09 -0.04 2.71 0.45 2aw9A1 ASP 173 HB3 -0.98 0.02 0.15 -0.04 2.70 1.85 2aw9A1 VAL 174 H -0.67 0.66 0.41 -0.55 8.24 8.09 2aw9A1 VAL 174 HA -0.06 0.21 0.83 -0.75 4.13 4.36 2aw9A1 VAL 174 HB -0.10 0.00 0.12 -0.04 2.12 2.10 2aw9A1 VAL 174 HG13 -0.28 0.01 -0.23 -0.04 0.97 0.43 2aw9A1 VAL 174 HG23 -0.25 0.04 -0.20 -0.04 0.95 0.50 2aw9A1 TRP 175 H -0.18 0.12 0.14 -0.55 7.97 7.51 2aw9A1 TRP 175 HA -0.35 0.06 0.73 -0.75 4.62 4.30 2aw9A1 TRP 175 HB2 -1.03 0.01 0.09 -0.04 3.23 2.26 2aw9A1 TRP 175 HB3 -0.90 -0.14 0.08 -0.04 3.23 2.22 2aw9A1 TRP 175 HD1 -0.64 0.20 0.18 -0.04 7.22 6.91 2aw9A1 TRP 175 HE1 0.22 0.58 -0.08 -0.04 10.20 10.88 2aw9A1 TRP 175 HE3 0.20 -0.09 0.04 -0.04 7.59 7.70 2aw9A1 TRP 175 HZ2 0.16 -0.10 -0.16 -0.04 7.44 7.30 2aw9A1 TRP 175 HZ3 0.19 0.01 0.01 -0.04 7.13 7.30 2aw9A1 TRP 175 HH2 0.21 0.02 -0.02 -0.04 7.19 7.36 2aw9A1 GLU 176 H -0.31 0.17 0.12 -0.55 8.60 8.03 2aw9A1 GLU 176 HA -1.18 0.20 0.39 -0.75 4.29 2.95 2aw9A1 GLU 176 HB2 -0.32 -0.04 0.11 -0.04 2.09 1.81 2aw9A1 GLU 176 HB3 -0.44 -0.02 -0.00 -0.04 1.99 1.48 2aw9A1 GLU 176 HG2 -0.28 0.06 0.01 -0.04 2.34 2.09 2aw9A1 GLU 176 HG3 -0.26 0.12 0.04 -0.04 2.34 2.19 2aw9A1 HIS 177 H -0.28 0.08 -0.25 -0.55 8.41 7.42 2aw9A1 HIS 177 HA -0.18 0.06 0.43 -0.75 4.63 4.18 2aw9A1 HIS 177 HB2 -0.40 0.03 0.04 -0.04 3.26 2.89 2aw9A1 HIS 177 HB3 -0.20 0.01 0.06 -0.04 3.20 3.03 2aw9A1 HIS 177 HD2 -1.08 0.04 -0.32 -0.04 6.97 5.57 2aw9A1 HIS 177 HE1 -0.88 0.05 -0.01 -0.04 7.75 6.87 2aw9A1 ALA 178 H -0.61 0.25 -0.49 -0.55 8.40 7.00 2aw9A1 ALA 178 HA -0.28 0.04 0.39 -0.75 4.34 3.74 2aw9A1 ALA 178 HB3 -0.23 0.06 -0.03 -0.04 1.41 1.18 2aw9A1 TYR 179 H -0.43 0.24 -0.40 -0.55 8.29 7.15 2aw9A1 TYR 179 HA -0.11 0.10 0.74 -0.75 4.56 4.54 2aw9A1 TYR 179 HB2 -0.34 -0.06 0.07 -0.04 3.06 2.68 2aw9A1 TYR 179 HB3 -1.60 0.12 -0.21 -0.04 2.98 1.24 2aw9A1 TYR 179 HD2 -0.37 -0.00 -0.30 -0.04 7.15 6.44 2aw9A1 TYR 179 HE2 -0.11 0.12 -0.23 -0.04 6.85 6.59 2aw9A1 TYR 180 H -0.15 0.43 0.15 -0.55 8.29 8.17 2aw9A1 TYR 180 HA -0.06 0.17 0.30 -0.75 4.56 4.21 2aw9A1 TYR 180 HB2 -0.29 0.25 0.13 -0.04 3.06 3.11 2aw9A1 TYR 180 HB3 -0.11 -0.03 -0.00 -0.04 2.98 2.80 2aw9A1 TYR 180 HD2 -0.19 0.06 -0.08 -0.04 7.15 6.90 2aw9A1 TYR 180 HE2 -0.03 0.04 -0.15 -0.04 6.85 6.67 2aw9A1 LEU 181 H 0.05 0.11 -0.21 -0.55 8.37 7.77 2aw9A1 LEU 181 HA 0.03 0.09 0.14 -0.75 4.35 3.86 2aw9A1 LEU 181 HB2 0.04 -0.05 0.05 -0.04 1.64 1.63 2aw9A1 LEU 181 HB3 0.01 0.02 -0.00 -0.04 1.64 1.63 2aw9A1 LEU 181 HG 0.06 -0.01 0.02 -0.04 1.64 1.66 2aw9A1 LEU 181 HD13 0.04 -0.01 -0.06 -0.04 0.93 0.86 2aw9A1 LEU 181 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 2aw9A1 ASN 182 H 0.01 0.05 -0.31 -0.55 8.53 7.73 2aw9A1 ASN 182 HA -0.16 0.11 0.55 -0.75 4.76 4.51 2aw9A1 ASN 182 HB2 -0.05 -0.20 0.07 -0.04 2.88 2.65 2aw9A1 ASN 182 HB3 -0.19 0.11 0.11 -0.04 2.79 2.78 2aw9A1 ASN 182 HD21 -0.23 0.22 -0.02 -0.04 7.03 6.96 2aw9A1 ASN 182 HD22 -0.19 0.08 0.05 -0.04 7.74 7.63 2aw9A1 TYR 183 H 0.11 0.56 0.08 -0.55 8.29 8.49 2aw9A1 TYR 183 HA -0.03 0.21 0.90 -0.75 4.56 4.88 2aw9A1 TYR 183 HB2 0.08 0.13 -0.02 -0.04 3.06 3.21 2aw9A1 TYR 183 HB3 0.00 -0.02 0.04 -0.04 2.98 2.96 2aw9A1 TYR 183 HD2 0.05 -0.03 0.03 -0.04 7.15 7.16 2aw9A1 TYR 183 HE2 0.16 0.06 0.01 -0.04 6.85 7.03 2aw9A1 GLN 184 H -0.23 0.42 -0.02 -0.55 8.47 8.10 2aw9A1 GLN 184 HA -1.78 0.03 0.39 -0.75 4.36 2.25 2aw9A1 GLN 184 HB2 -0.22 0.10 0.06 -0.04 2.15 2.04 2aw9A1 GLN 184 HB3 -0.49 -0.10 0.23 -0.04 2.02 1.63 2aw9A1 GLN 184 HG2 -0.17 -0.04 -0.00 -0.04 2.40 2.14 2aw9A1 GLN 184 HG3 -0.40 0.05 0.05 -0.04 2.39 2.05 2aw9A1 GLN 184 HE21 -0.12 0.10 -0.44 -0.04 6.97 6.48 2aw9A1 GLN 184 HE22 -0.15 0.17 -0.05 -0.04 7.69 7.62 2aw9A1 ASN 185 H -0.17 0.12 0.22 -0.55 8.53 8.16 2aw9A1 ASN 185 HA 0.22 0.10 0.39 -0.75 4.76 4.72 2aw9A1 ASN 185 HB2 0.08 0.01 0.16 -0.04 2.88 3.09 2aw9A1 ASN 185 HB3 0.11 -0.02 0.14 -0.04 2.79 2.97 2aw9A1 ASN 185 HD21 0.02 -0.00 -0.04 -0.04 7.03 6.97 2aw9A1 ASN 185 HD22 0.03 -0.01 -0.06 -0.04 7.74 7.66 2aw9A1 ARG 186 H 0.03 0.65 -0.38 -0.55 8.46 8.20 2aw9A1 ARG 186 HA -0.01 0.05 0.30 -0.75 4.34 3.94 2aw9A1 ARG 186 HB2 0.11 0.11 0.24 -0.04 1.90 2.32 2aw9A1 ARG 186 HB3 0.03 -0.13 0.13 -0.04 1.80 1.79 2aw9A1 ARG 186 HG2 0.02 -0.02 -0.00 -0.04 1.67 1.62 2aw9A1 ARG 186 HG3 0.01 0.00 0.11 -0.04 1.67 1.75 2aw9A1 ARG 186 HD2 0.06 -0.04 0.05 -0.04 3.22 3.25 2aw9A1 ARG 186 HD3 0.02 -0.03 0.03 -0.04 3.22 3.20 2aw9A1 ARG 187 H -0.08 0.58 0.33 -0.55 8.46 8.74 2aw9A1 ARG 187 HA -0.73 0.03 0.34 -0.75 4.34 3.22 2aw9A1 ARG 187 HB2 -0.22 0.07 0.12 -0.04 1.90 1.83 2aw9A1 ARG 187 HB3 -0.18 0.03 0.12 -0.04 1.80 1.73 2aw9A1 ARG 187 HG2 -0.34 -0.12 -0.11 -0.04 1.67 1.06 2aw9A1 ARG 187 HG3 -0.83 -0.02 0.00 -0.04 1.67 0.77 2aw9A1 ARG 187 HD2 -0.15 0.01 0.01 -0.04 3.22 3.06 2aw9A1 ARG 187 HD3 -0.20 0.05 -0.12 -0.04 3.22 2.92 2aw9A1 PRO 188 HA -0.13 0.09 0.44 -0.51 4.44 4.33 2aw9A1 PRO 188 HB2 -0.04 0.00 -0.04 -0.04 2.28 2.16 2aw9A1 PRO 188 HB3 -0.05 0.05 0.04 -0.04 2.02 2.02 2aw9A1 PRO 188 HG2 -0.04 0.05 0.04 -0.04 2.03 2.04 2aw9A1 PRO 188 HG3 -0.07 0.09 0.05 -0.04 2.03 2.06 2aw9A1 PRO 188 HD2 -0.06 0.01 -0.01 -0.04 3.68 3.57 2aw9A1 PRO 188 HD3 -0.09 0.16 0.18 -0.04 3.65 3.86 2aw9A1 ASP 189 H -0.09 0.16 -0.32 -0.55 8.40 7.61 2aw9A1 ASP 189 HA -0.03 0.03 0.47 -0.75 4.63 4.35 2aw9A1 ASP 189 HB2 0.05 0.17 0.13 -0.04 2.71 3.03 2aw9A1 ASP 189 HB3 0.17 0.02 0.04 -0.04 2.70 2.89 2aw9A1 TYR 190 H -0.42 0.41 -0.15 -0.55 8.29 7.58 2aw9A1 TYR 190 HA -1.18 0.05 0.47 -0.75 4.56 3.14 2aw9A1 TYR 190 HB2 -0.83 -0.05 0.09 -0.04 3.06 2.23 2aw9A1 TYR 190 HB3 -0.70 0.19 0.22 -0.04 2.98 2.66 2aw9A1 TYR 190 HD2 -0.39 0.02 0.01 -0.04 7.15 6.75 2aw9A1 TYR 190 HE2 -0.07 0.09 -0.01 -0.04 6.85 6.82 2aw9A1 LEU 191 H -0.32 0.63 -0.04 -0.55 8.37 8.09 2aw9A1 LEU 191 HA -0.66 -0.01 0.26 -0.75 4.35 3.20 2aw9A1 LEU 191 HB2 -0.19 0.07 0.15 -0.04 1.64 1.63 2aw9A1 LEU 191 HB3 -0.21 -0.05 -0.01 -0.04 1.64 1.32 2aw9A1 LEU 191 HG -0.34 0.14 0.02 -0.04 1.64 1.42 2aw9A1 LEU 191 HD13 -0.21 -0.00 -0.14 -0.04 0.93 0.53 2aw9A1 LEU 191 HD23 -0.52 -0.01 -0.08 -0.04 0.89 0.24 2aw9A1 ALA 192 H -0.12 0.52 -0.22 -0.55 8.40 8.03 2aw9A1 ALA 192 HA 0.25 0.00 0.49 -0.75 4.34 4.32 2aw9A1 ALA 192 HB3 0.06 0.02 0.10 -0.04 1.41 1.54 2aw9A1 ALA 193 H -0.06 0.57 -0.06 -0.55 8.40 8.30 2aw9A1 ALA 193 HA 0.07 -0.02 0.53 -0.75 4.34 4.16 2aw9A1 ALA 193 HB3 0.18 0.03 0.14 -0.04 1.41 1.72 2aw9A1 PHE 194 H -0.19 0.41 -0.33 -0.55 8.34 7.67 2aw9A1 PHE 194 HA -0.25 -0.01 0.33 -0.75 4.62 3.94 2aw9A1 PHE 194 HB2 -0.67 0.05 0.04 -0.04 3.15 2.53 2aw9A1 PHE 194 HB3 -0.85 0.21 0.11 -0.04 3.06 2.48 2aw9A1 PHE 194 HD2 -0.65 0.01 -0.09 -0.04 7.28 6.52 2aw9A1 PHE 194 HE2 -0.24 -0.02 -0.09 -0.04 7.38 6.99 2aw9A1 PHE 194 HZ -0.06 0.12 -0.00 -0.04 7.32 7.33 2aw9A1 TRP 195 H -0.31 0.35 -0.25 -0.55 7.97 7.22 2aw9A1 TRP 195 HA -0.09 -0.02 0.33 -0.75 4.62 4.09 2aw9A1 TRP 195 HB2 0.02 0.12 0.07 -0.04 3.23 3.39 2aw9A1 TRP 195 HB3 0.15 -0.01 0.06 -0.04 3.23 3.38 2aw9A1 TRP 195 HD1 -0.01 0.10 0.15 -0.04 7.22 7.42 2aw9A1 TRP 195 HE1 -0.05 -0.04 -0.06 -0.04 10.20 10.00 2aw9A1 TRP 195 HE3 0.34 0.01 0.00 -0.04 7.59 7.90 2aw9A1 TRP 195 HZ2 -0.08 0.07 0.02 -0.04 7.44 7.40 2aw9A1 TRP 195 HZ3 0.31 -0.03 -0.08 -0.04 7.13 7.28 2aw9A1 TRP 195 HH2 -0.87 -0.03 -0.10 -0.04 7.19 6.15 2aw9A1 ASN 196 H -0.05 0.33 -0.39 -0.55 8.53 7.87 2aw9A1 ASN 196 HA -0.03 0.01 0.67 -0.75 4.76 4.66 2aw9A1 ASN 196 HB2 -0.81 0.31 0.18 -0.04 2.88 2.52 2aw9A1 ASN 196 HB3 -0.73 -0.07 0.09 -0.04 2.79 2.03 2aw9A1 ASN 196 HD21 0.04 -0.07 0.05 -0.04 7.03 7.02 2aw9A1 ASN 196 HD22 -0.16 0.09 0.20 -0.04 7.74 7.82 2aw9A1 VAL 197 H -0.34 0.54 -0.08 -0.55 8.24 7.82 2aw9A1 VAL 197 HA -0.17 0.28 1.11 -0.75 4.13 4.60 2aw9A1 VAL 197 HB -0.20 -0.12 0.19 -0.04 2.12 1.95 2aw9A1 VAL 197 HG13 -0.00 -0.01 -0.05 -0.04 0.97 0.86 2aw9A1 VAL 197 HG23 -0.25 0.00 -0.00 -0.04 0.95 0.66 2aw9A1 VAL 198 H -0.43 0.23 -0.10 -0.55 8.24 7.39 2aw9A1 VAL 198 HA -0.65 0.21 0.64 -0.75 4.13 3.58 2aw9A1 VAL 198 HB -0.73 -0.00 -0.00 -0.04 2.12 1.34 2aw9A1 VAL 198 HG13 -1.58 -0.04 -0.25 -0.04 0.97 -0.94 2aw9A1 VAL 198 HG23 -0.74 0.02 -0.05 -0.04 0.95 0.15 2aw9A1 ASN 199 H -0.34 0.84 0.19 -0.55 8.53 8.67 2aw9A1 ASN 199 HA -0.11 0.09 0.73 -0.75 4.76 4.71 2aw9A1 ASN 199 HB2 -0.07 0.13 -0.28 -0.04 2.88 2.61 2aw9A1 ASN 199 HB3 -0.09 0.11 -0.02 -0.04 2.79 2.75 2aw9A1 ASN 199 HD21 0.03 -0.05 0.01 -0.04 7.03 6.97 2aw9A1 ASN 199 HD22 0.03 0.22 -0.03 -0.04 7.74 7.91 2aw9A1 TRP 200 H 0.10 0.28 -0.07 -0.55 7.97 7.73 2aw9A1 TRP 200 HA 0.01 0.14 0.58 -0.75 4.62 4.60 2aw9A1 TRP 200 HB2 -0.04 0.08 -0.07 -0.04 3.23 3.16 2aw9A1 TRP 200 HB3 -0.05 -0.11 -0.02 -0.04 3.23 3.02 2aw9A1 TRP 200 HD1 -0.03 0.04 -0.24 -0.04 7.22 6.94 2aw9A1 TRP 200 HE1 0.17 0.24 -0.23 -0.04 10.20 10.34 2aw9A1 TRP 200 HE3 0.01 -0.11 -0.03 -0.04 7.59 7.42 2aw9A1 TRP 200 HZ2 0.71 0.06 -0.04 -0.04 7.44 8.13 2aw9A1 TRP 200 HZ3 0.03 -0.01 -0.09 -0.04 7.13 7.03 2aw9A1 TRP 200 HH2 0.55 0.00 -0.08 -0.04 7.19 7.63 2aw9A1 ASP 201 H 0.12 0.15 -0.11 -0.55 8.40 8.01 2aw9A1 ASP 201 HA 0.10 0.05 0.53 -0.75 4.63 4.55 2aw9A1 ASP 201 HB2 0.05 0.06 0.08 -0.04 2.71 2.86 2aw9A1 ASP 201 HB3 0.06 0.04 0.05 -0.04 2.70 2.80 2aw9A1 GLU 202 H 0.04 0.18 -0.28 -0.55 8.60 7.99 2aw9A1 GLU 202 HA 0.05 0.03 0.35 -0.75 4.29 3.97 2aw9A1 GLU 202 HB2 0.03 0.01 0.10 -0.04 2.09 2.19 2aw9A1 GLU 202 HB3 0.00 0.13 0.13 -0.04 1.99 2.21 2aw9A1 GLU 202 HG2 0.04 0.25 -0.24 -0.04 2.34 2.35 2aw9A1 GLU 202 HG3 0.04 -0.02 -0.25 -0.04 2.34 2.07 2aw9A1 VAL 203 H 0.05 0.25 -0.19 -0.55 8.24 7.80 2aw9A1 VAL 203 HA 0.10 0.20 0.60 -0.75 4.13 4.28 2aw9A1 VAL 203 HB 0.25 -0.06 0.14 -0.04 2.12 2.40 2aw9A1 VAL 203 HG13 0.26 -0.01 -0.14 -0.04 0.97 1.04 2aw9A1 VAL 203 HG23 -0.16 0.12 0.12 -0.04 0.95 0.99 2aw9A1 SER 204 H 0.18 0.65 -0.12 -0.55 8.46 8.62 2aw9A1 SER 204 HA 0.17 -0.05 0.52 -0.75 4.49 4.38 2aw9A1 SER 204 HB2 0.12 0.22 0.28 -0.04 3.95 4.53 2aw9A1 SER 204 HB3 0.10 -0.03 0.04 -0.04 3.93 4.01 2aw9A1 LYS 205 H 0.10 0.60 -0.06 -0.55 8.42 8.50 2aw9A1 LYS 205 HA 0.07 -0.05 0.36 -0.75 4.32 3.95 2aw9A1 LYS 205 HB2 0.07 0.16 0.23 -0.04 1.87 2.28 2aw9A1 LYS 205 HB3 0.06 0.14 0.08 -0.04 1.79 2.03 2aw9A1 LYS 205 HG2 0.04 -0.05 0.07 -0.04 1.46 1.47 2aw9A1 LYS 205 HG3 0.05 -0.03 0.03 -0.04 1.46 1.46 2aw9A1 LYS 205 HD2 0.03 -0.03 -0.00 -0.04 1.69 1.65 2aw9A1 LYS 205 HD3 0.04 0.02 0.01 -0.04 1.68 1.71 2aw9A1 LYS 205 HE2 0.04 0.02 -0.03 -0.04 2.99 2.98 2aw9A1 LYS 205 HE3 0.04 0.05 -0.15 -0.04 2.99 2.88 2aw9A1 ARG 206 H 0.10 0.49 -0.25 -0.55 8.46 8.24 2aw9A1 ARG 206 HA 0.06 -0.00 0.66 -0.75 4.34 4.30 2aw9A1 ARG 206 HB2 0.11 0.14 0.23 -0.04 1.90 2.35 2aw9A1 ARG 206 HB3 0.09 -0.03 0.08 -0.04 1.80 1.90 2aw9A1 ARG 206 HG2 0.05 -0.04 0.06 -0.04 1.67 1.70 2aw9A1 ARG 206 HG3 0.06 -0.06 0.02 -0.04 1.67 1.65 2aw9A1 ARG 206 HD2 0.08 0.12 0.02 -0.04 3.22 3.40 2aw9A1 ARG 206 HD3 0.08 0.01 0.06 -0.04 3.22 3.33 2aw9A1 TYR 207 H 0.22 0.57 -0.02 -0.55 8.29 8.51 2aw9A1 TYR 207 HA 0.06 -0.01 0.33 -0.75 4.56 4.18 2aw9A1 TYR 207 HB2 0.08 0.02 0.12 -0.04 3.06 3.23 2aw9A1 TYR 207 HB3 0.05 0.06 0.19 -0.04 2.98 3.25 2aw9A1 TYR 207 HD2 0.04 -0.03 -0.10 -0.04 7.15 7.02 2aw9A1 TYR 207 HE2 0.02 -0.00 -0.13 -0.04 6.85 6.70 2aw9A1 ALA 208 H 0.10 0.54 -0.24 -0.55 8.40 8.26 2aw9A1 ALA 208 HA -0.14 -0.03 0.29 -0.75 4.34 3.70 2aw9A1 ALA 208 HB3 0.02 0.02 0.05 -0.04 1.41 1.47 2aw9A1 ALA 209 H 0.00 0.35 -0.14 -0.55 8.40 8.06 2aw9A1 ALA 209 HA -0.02 -0.00 0.40 -0.75 4.34 3.96 2aw9A1 ALA 209 HB3 0.00 0.00 0.15 -0.04 1.41 1.53 2aw9A1 ALA 210 H -0.01 0.57 0.05 -0.55 8.40 8.46 2aw9A1 ALA 210 HA -0.03 0.01 0.36 -0.75 4.34 3.93 2aw9A1 ALA 210 HB3 0.01 -0.00 0.03 -0.04 1.41 1.40 2aw9A1 LYS 211 H -0.18 0.45 -0.54 -0.55 8.42 7.60 2aw9A1 LYS 211 HA -0.13 -0.07 0.55 -0.75 4.32 3.92 2aw9A1 LYS 211 HB2 -0.26 0.28 0.13 -0.04 1.87 1.98 2aw9A1 LYS 211 HB3 -0.17 -0.13 0.11 -0.04 1.79 1.56 2aw9A1 LYS 211 HG2 -0.43 -0.06 -0.01 -0.04 1.46 0.92 2aw9A1 LYS 211 HG3 -0.99 0.00 -0.05 -0.04 1.46 0.37 2aw9A1 LYS 211 HD2 -0.23 -0.07 0.00 -0.04 1.69 1.35 2aw9A1 LYS 211 HD3 -0.14 -0.03 0.06 -0.04 1.68 1.53 2aw9A1 LYS 211 HE2 -0.07 -0.08 0.06 -0.04 2.99 2.86 2aw9A1 LYS 211 HE3 -0.04 0.04 0.02 -0.04 2.99 2.97 2aw9A1 LEU 212 H -0.06 0.65 -0.28 -0.55 8.37 8.14 2aw9A1 LEU 212 HA -0.04 -0.00 0.86 -0.75 4.35 4.42 2aw9A1 LEU 212 HB2 -0.03 0.02 0.19 -0.04 1.64 1.78 2aw9A1 LEU 212 HB3 -0.02 -0.06 0.07 -0.04 1.64 1.58 2aw9A1 LEU 212 HG -0.05 0.34 0.15 -0.04 1.64 2.04 2aw9A1 LEU 212 HD13 -0.02 -0.05 0.02 -0.04 0.93 0.84 2aw9A1 LEU 212 HD23 -0.05 -0.03 -0.27 -0.04 0.89 0.51 2aw9A1 VAL 213 H -0.03 0.18 0.07 -0.55 8.24 7.92 2aw9A1 VAL 213 HA -0.02 0.20 0.55 -0.75 4.13 4.11 2aw9A1 VAL 213 HB -0.01 0.00 0.08 -0.04 2.12 2.15 2aw9A1 VAL 213 HG13 -0.01 -0.01 0.03 -0.04 0.97 0.95 2aw9A1 VAL 213 HG23 -0.02 0.03 -0.07 -0.04 0.95 0.85